SCHEMBL16632583

SCHEMBL16632583

COc1cc(F)c(F)cc1Oc1cc(F)cn2cc(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.38
SLC22A12 Q96S37 1/20 0.35
AR P10275 3/20 0.35
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
SLC6A4 P31645 1/20 0.30
GPR6 P46095 1/20 0.30
PRKDC P78527 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
SCHEMBL16632599 0.88 AR (0.45) GRM5ARSCN8ASCN10AGPBAR1
SCHEMBL16632341 0.86 AR (0.45) GRM5SLC22A12ARSCN8ASCN10A
SCHEMBL16632593 0.84 GRM5 (0.33) GRM5
SCHEMBL16632561 0.82 AR (0.41) GRM5SLC22A12ARSLC6A4
SCHEMBL16632389 0.80 AR (0.45) GRM5SLC22A12ARSCN8ASCN10A
SCHEMBL16632481 0.79 SLC6A4 (0.44) GRM5SLC22A12ARSCN8ASCN10A
SCHEMBL16632347 0.76 GRM5 (0.41) GRM5SLC22A12ARSCN8ASCN10A
SCHEMBL16632728 0.76 AR (0.46) GRM5SLC22A12ARSCN8ASCN10A
SCHEMBL16632575 0.75 AR (0.39) GRM5ARGPR6
SCHEMBL16632694 0.75 GRM5 (0.37) GRM5ARSCN8ASCN10AGPR6

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR GRM5 2115/4885SLC22A12 2889/4885AR 3070/4885

“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.