SCHEMBL20202800

SCHEMBL20202800

FC(F)(F)c1cnc(NC[C@H]2CCNCC2(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
IDH1 O75874 1/20 0.34
HCRTR1 O43613 11/20 0.34
HCRTR2 O43614 1/20 0.33
SSTR4 P31391 1/20 0.33
MAPK1 P28482 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
Trifluoroacetic Acid SCHEMBL20189202 0.92 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL20203109 0.85 LRRK2 (0.40) LRRK2
SCHEMBL20203108 0.85 LRRK2 (0.40) LRRK2
SCHEMBL20202870 0.84 GRIN2B (0.38) LRRK2HCRTR1SSTR4MAPK1
SCHEMBL20189215 0.82 GRIN2B (0.40) LRRK2IDH1SSTR4
SCHEMBL18296935 0.82 GRIN2B (0.40) LRRK2IDH1SSTR4
SCHEMBL20189218 0.82 GRIN2B (0.40) LRRK2IDH1SSTR4
SCHEMBL20190555 0.82 KDM1A (0.39) LRRK2HCRTR1
SCHEMBL20190554 0.82 KDM1A (0.39) LRRK2HCRTR1
Hydrochloric Acid SCHEMBL18281002 0.81 GRIN2B (0.40) LRRK2IDH1SSTR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (4 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 LRRK2 876/4885IDH1 3743/4885HCRTR1 62/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B LRRK2 876/4885IDH1 3743/4885HCRTR1 62/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B LRRK2 876/4885IDH1 3743/4885HCRTR1 62/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B LRRK2 876/4885IDH1 3743/4885HCRTR1 62/4885

“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.