SCHEMBL6102485

SCHEMBL6102485

CCCc1c(Cn2cc(C)nc2-c2cc(F)ccc2F)nn2ccc(C)nc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL6102129 0.84 TLR8 (0.34) PTGS2
SCHEMBL6099817 0.75 ADORA3 (0.31) —
SCHEMBL6099356 0.75 PTGS2 (0.39) HTR6PTGS2
SCHEMBL6101905 0.74 KDR (0.36) —
SCHEMBL6102198 0.72 HTR6 (0.39) KCNH2HTR6
SCHEMBL4762545 0.71 PDE2A (0.31) —
SCHEMBL6101381 0.68 BRD4 (0.39) —
SCHEMBL3070023 0.65 GRIN2B (0.40) —
SCHEMBL4770042 0.64 PDE2A (0.33) KCNH2
SCHEMBL4764022 0.63 AKT1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 — — US disclosed
US-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands NEUROGEN CORPORATION 2006-01-19 — — 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 (2 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-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands GABRA5, GABRA2, GABBR1 DPP4 3212/4885KCNH2 566/4885FAP 4515/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 DPP4 4234/4885KCNH2 1618/4885FAP 4173/4885

“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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