Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20189773

N#Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
VNN1 O95497 5/20 0.36
ACACB O00763 1/20 0.34
HCRTR1 O43613 3/20 0.34
KDM1A O60341 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
GRIN2B Q13224 2/20 0.33
CSF1R P07333 1/20 0.33
CYP2C9 P11712 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CHEK1 O14757 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL20190554 0.90 KDM1A (0.39) VNN1ACACBHCRTR1KDM1ALRRK2
SCHEMBL20190555 0.90 KDM1A (0.39) VNN1ACACBHCRTR1KDM1ALRRK2
Trifluoroacetic Acid SCHEMBL20189633 0.88 HRH4 (0.39) HRH4HRH3HCRTR1LRRK2CYP2D6
Trifluoroacetic Acid SCHEMBL20189970 0.87 HRH4 (0.40) HRH4HRH3HCRTR1CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL20189202 0.87 HCRTR1 (0.39) HRH4HRH3HCRTR1
Trifluoroacetic Acid SCHEMBL20189608 0.86 HRH4 (0.44) HRH4HRH3HCRTR1GRIN2B
Trifluoroacetic Acid SCHEMBL20189369 0.86 HRH4 (0.44) HRH4HRH3HCRTR1GRIN2B
Trifluoroacetic Acid SCHEMBL20190218 0.84 CHEK1 (0.45) HRH4HRH3KCNH2CHEK1
Trifluoroacetic Acid SCHEMBL18280963 0.82 CYP2D6 (0.49) HRH4HRH3LRRK2CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL20188684 0.80 GRIN2B (0.46) HRH4HRH3HCRTR1CYP2D6KCNH2

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 8 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-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-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
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 (6 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 HRH4 433/4885HRH3 663/4885VNN1 717/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885VNN1 717/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885VNN1 717/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 HRH4 135/4885HRH3 177/4885VNN1 4075/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885VNN1 717/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885VNN1 717/4885

“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.