SCHEMBL20202856

SCHEMBL20202856

FC1(F)CNCC[C@@H]1CNc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
SSTR4 P31391 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 1/20 0.32
GRIN2B Q13224 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
FLT3 P36888 1/20 0.30

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
SCHEMBL20202854 1.00 LRRK2 (0.34) LRRK2SSTR4CYP2D6CYP2C9GRIN2B
SCHEMBL20202819 1.00 LRRK2 (0.34) LRRK2SSTR4CYP2D6CYP2C9GRIN2B
Trifluoroacetic Acid SCHEMBL20189426 0.89 HRH4 (0.39) SSTR4CYP2D6CYP2C9GRIN2BKEAP1
Trifluoroacetic Acid SCHEMBL20189794 0.89 HRH4 (0.39) SSTR4CYP2D6CYP2C9GRIN2BKEAP1
SCHEMBL20189870 0.81 GRIN2B (0.36) LRRK2SSTR4CYP2D6CYP2C9GRIN2B
SCHEMBL20189872 0.81 GRIN2B (0.36) LRRK2SSTR4CYP2D6CYP2C9GRIN2B
SCHEMBL20189590 0.80 LRRK2 (0.39) LRRK2GRIN2B
SCHEMBL20189588 0.80 LRRK2 (0.39) LRRK2GRIN2B
SCHEMBL18296935 0.78 GRIN2B (0.40) LRRK2SSTR4GRIN2B
SCHEMBL20189218 0.78 GRIN2B (0.40) LRRK2SSTR4GRIN2B

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 876/4885SSTR4 1317/4885CYP2D6 3997/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B LRRK2 876/4885SSTR4 1317/4885CYP2D6 3997/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B LRRK2 876/4885SSTR4 1317/4885CYP2D6 3997/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B LRRK2 876/4885SSTR4 1317/4885CYP2D6 3997/4885

“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.