SCHEMBL16632599

SCHEMBL16632599

COc1cc(F)ccc1Oc1cc(F)cn2cc(C#N)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
GRM5 P41594 5/20 0.42
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
SLC6A4 P31645 1/20 0.37
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL16632341 0.92 AR (0.45) ARGRM5SCN8ASCN10AKDM4E
SCHEMBL16632389 0.91 AR (0.45) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632481 0.90 SLC6A4 (0.44) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632583 0.88 GRM5 (0.38) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632728 0.88 AR (0.46) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632694 0.85 GRM5 (0.37) ARGRM5SCN8ASCN10A
SCHEMBL16632347 0.82 GRM5 (0.41) ARGRM5SCN8ASCN10ANR3C1
SCHEMBL16632394 0.80 SLC6A4 (0.53) ARSLC6A4KDM4ETSHRSMN1; SMN2
SCHEMBL16632575 0.80 AR (0.39) ARGRM5
SCHEMBL16632640 0.78 AR (0.49) ARGRM5SLC6A4KDM4ELMNA

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 AR 3070/4885GRM5 2115/4885SCN8A 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.