SCHEMBL2783259

SCHEMBL2783259

COc1cccc(OC)c1CNC(=N)Nc1cccc(-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.44
ROCK2 O75116 1/20 0.42
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL2782180 0.91 ADORA3 (0.48) SCN9AROCK2ADORA3
SCHEMBL2780808 0.89 ALDH1A1 (0.47) SCN9AROCK2
Acetic Acid SCHEMBL2781807 0.87 ADORA3 (0.50) SCN9AROCK2ADORA3
SCHEMBL17620892 0.82 ROCK2 (0.47) ROCK2
SCHEMBL2421863 0.81 ROCK2 (0.44) ROCK2
SCHEMBL2382007 0.81 KMT2A (0.49) ROCK2
SCHEMBL2782719 0.81 KMT2A (0.49)
SCHEMBL2781313 0.81 ALDH1A1 (0.50) ROCK2ADORA3
SCHEMBL2782249 0.80 MAPK1 (0.43) ROCK2
SCHEMBL2779634 0.80 RXFP1 (0.40) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US 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 (1 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E SCN9A 1474/4885ROCK2 1943/4885ADORA3 48/4885

“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.