SCHEMBL16632694

SCHEMBL16632694

N#Cc1cc2c(Oc3ccc(F)cc3O)cc(F)cn2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
P4HB P07237 2/20 0.33
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
SCN9A Q15858 1/20 0.31
GPR6 P46095 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
AR P10275 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
SCHEMBL16632575 0.90 AR (0.39) GRM5SCN9AGPR6AR
SCHEMBL16632586 0.89 GRM5 (0.40) GRM5P4HBSCN8ASCN10AAR
SCHEMBL16632736 0.89 GRM5 (0.35) GRM5P4HBCA3CA6CA5A
SCHEMBL16632571 0.86 GRM5 (0.37) GRM5P4HBAR
SCHEMBL16632593 0.86 GRM5 (0.33) GRM5
SCHEMBL16632599 0.85 AR (0.45) GRM5SCN8ASCN10AAR
SCHEMBL16632341 0.80 AR (0.45) GRM5SCN8ASCN10AAR
SCHEMBL16632602 0.79 GRM5 (0.37) GRM5P4HBSCN9AGPR6AR
SCHEMBL16632281 0.77 TTR (0.47) GRM5AR
SCHEMBL16632389 0.77 AR (0.45) GRM5SCN8ASCN10AGPR6AR

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 2115/4885P4HB 1959/4885SCN8A 4760/4885

“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.