Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20188684

Cc1cnc(NC[C@H]2CCNCC2(F)F)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.46
HRH4 Q9H3N8 4/20 0.41
HRH3 Q9Y5N1 3/20 0.41
SSTR4 P31391 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HCRTR1 O43613 7/20 0.33
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
HCRTR2 O43614 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PAK1 Q13153 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20189406 0.89 GRIN2B (0.45) GRIN2BCYP2D6KCNH2DDB1CRBN
SCHEMBL20189409 0.89 GRIN2B (0.45) GRIN2BCYP2D6KCNH2DDB1CRBN
Trifluoroacetic Acid SCHEMBL20189970 0.86 HRH4 (0.40) GRIN2BHRH4HRH3SSTR4CHRNB2
Trifluoroacetic Acid SCHEMBL18280984 0.86 GRIN2B (0.45) GRIN2BHRH4HRH3SSTR4CHRNB2
Trifluoroacetic Acid SCHEMBL20189748 0.85 HRH4 (0.41) GRIN2BHRH4HRH3SSTR4HCRTR1
Trifluoroacetic Acid SCHEMBL20190218 0.85 CHEK1 (0.45) HRH4HRH3KCNH2
Trifluoroacetic Acid SCHEMBL20189633 0.82 HRH4 (0.39) GRIN2BHRH4HRH3SSTR4CHRNB2
Trifluoroacetic Acid SCHEMBL20189608 0.82 HRH4 (0.44) GRIN2BHRH4HRH3SSTR4HCRTR1
Trifluoroacetic Acid SCHEMBL20189369 0.82 HRH4 (0.44) GRIN2BHRH4HRH3SSTR4HCRTR1
Trifluoroacetic Acid SCHEMBL25432970 0.82 HRH4 (0.43) GRIN2BHRH4HRH3SSTR4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2026-01-20 US disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2022-01-27 US disclosed
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-10-05 US disclosed
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 US disclosed
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2020-09-24 US disclosed
US-10584127-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (BM) 2020-03-10 US disclosed
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-10-03 US disclosed
EP-3544610-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS Rugen Holdings (Cayman) Limited (KY) 2019-10-02 EP disclosed
US-10294230-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-05-21 US disclosed
US-20180346476-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-12-06 US disclosed
US-20180170935-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-06-21 US disclosed
WO-2018098128-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885HRH4 433/4885HRH3 663/4885
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 143/4885HRH3 183/4885
US-20180170935-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 143/4885HRH3 183/4885
US-20180346476-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 147/4885HRH3 186/4885
US-10294230-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 147/4885HRH3 186/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885HRH4 433/4885HRH3 663/4885
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 143/4885HRH3 183/4885
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 143/4885HRH3 183/4885
US-10584127-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885HRH4 143/4885HRH3 183/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885HRH4 433/4885HRH3 663/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 GRIN2B 8/4885HRH4 135/4885HRH3 177/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885HRH4 433/4885HRH3 663/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885HRH4 433/4885HRH3 663/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.