SCHEMBL1338638

SCHEMBL1338638

CCn1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4F)c(=O)n(C)c2n3C)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.34
▸ GABRG2 P18507 5/20 0.34
▸ GABRB3 P28472 5/20 0.34
▸ GABRA5 P31644 5/20 0.34
▸ MAT2A P31153 3/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ ACSS2 Q9NR19 2/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL1339409 0.91 HSD11B1 (0.36) GABRA1GABRG2GABRB3GABRA5MAPK8
SCHEMBL1340490 0.85 DRD2 (0.36) GABRA1GABRG2GABRB3GABRA5MAT2A
SCHEMBL1336965 0.82 HSD11B1 (0.33) GABRA1GABRG2GABRB3GABRA5
SCHEMBL1337038 0.82 MARS1 (0.39) GABRA1MAPK8
SCHEMBL1338637 0.81 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5MAPK8
SCHEMBL1336826 0.81 CNR1 (0.35) GABRA1GABRG2GABRB3GABRA5
SCHEMBL1337150 0.81 ACSS2 (0.34) ACSS2
SCHEMBL1336885 0.80 CNR1 (0.37) MAPK8MAPK9MAPK10
SCHEMBL1337210 0.80 KDM4E (0.37) GABRA1GABRG2GABRB3GABRA5
SCHEMBL1338200 0.79 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 — — US disclosed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 — — US disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — 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 (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-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 GABRA1 1457/4885GABRG2 1617/4885GABRB3 1017/4885

“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.

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