SCHEMBL3475796

SCHEMBL3475796

CC(C)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(CCO)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 10/20 0.46
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
KDM5A P29375 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
BRD4 O60885 2/20 0.40
MAP4K1 Q92918 1/20 0.39
P2RX3 P56373 1/20 0.39
AAK1 Q2M2I8 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
SCHEMBL3434978 0.91 AAK1 (0.42) KDM5ABRD4P2RX3AAK1
SCHEMBL3380569 0.90 FFAR4 (0.45) TRPC5GRIN1GRIN2BKDM5ABRD4
SCHEMBL3476109 0.90 BRD4 (0.47) TRPC5GRIN1GRIN2BKDM5ABRD4
SCHEMBL3414007 0.88 KDM5A (0.41) TRPC5GRIN1GRIN2BKDM5ATRPV3
SCHEMBL3434810 0.88 SCD (0.46) TRPC5GRIN1GRIN2BTRPV3MAP4K1
SCHEMBL3379857 0.86 KDM5A (0.43) TRPC5GRIN1GRIN2BKDM5AMAP4K1
SCHEMBL3376765 0.85 TRPC5 (0.46) TRPC5GRIN1GRIN2BBRD4P2RX3
SCHEMBL3475811 0.81 GCGR (0.41) BRD4
SCHEMBL3474602 0.80 BRD4 (0.49) BRD4AAK1
SCHEMBL3474513 0.79 SCD (0.44) BRD4

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TRPC5 44/4885GRIN1 1435/4885GRIN2B 2067/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TRPC5 44/4885GRIN1 1435/4885GRIN2B 2067/4885

“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.