SCHEMBL3474513

SCHEMBL3474513

CC(C)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(CCNC(=O)CO)c1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.44
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
GCGR P47871 3/20 0.38
BRD4 O60885 3/20 0.37

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
SCHEMBL3434810 0.92 SCD (0.46) SCD
SCHEMBL3434978 0.87 AAK1 (0.42) BRD4
SCHEMBL3347693 0.86 SCD (0.57) SCDMTNR1AMTNR1BBRD4
SCHEMBL3475811 0.84 GCGR (0.41) GCGRBRD4
SCHEMBL3476248 0.84 NR1D1 (0.41) SCDTRPV1BRD4
SCHEMBL3474602 0.82 BRD4 (0.49) BRD4
SCHEMBL3475244 0.81 BRD4 (0.41) GCGRBRD4
SCHEMBL3473464 0.79 SCD (0.51) SCDBRD4
SCHEMBL3475796 0.79 TRPC5 (0.46) BRD4
SCHEMBL3376728 0.79 TDP2 (0.42) 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 SCD 2432/4885MTNR1A 654/4885MTNR1B 550/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885MTNR1A 654/4885MTNR1B 550/4885

“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.