SCHEMBL16632621

SCHEMBL16632621

COc1cc(F)ccc1Oc1cc(C)cc2oc(C#N)cc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
CNR2 P34972 7/20 0.37
PGR P06401 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL16632752 0.88 CNR2 (0.45) ARCNR2GPR55
SCHEMBL16632749 0.86 MAPT (0.36) ARCNR2PGR
SCHEMBL16632454 0.85 AR (0.41) ARCNR2SCN8ASCN10A
SCHEMBL806615 0.82 CNR2 (0.45) CNR2PGRGPR55ACHE
SCHEMBL16632622 0.77 CNR2 (0.45) ARCNR2GPR55
SCHEMBL16634455 0.76 L3MBTL1 (0.35) PGR
SCHEMBL16632531 0.74 SLC6A4 (0.42) ARPGR
SCHEMBL16632984 0.73 CYP2A6 (0.45) ARCNR2
SCHEMBL16632723 0.72 SLC6A4 (0.49) ARSLC22A12
SCHEMBL5584528 0.70 CYP2A6 (0.50) CNR2GPR55ACHE

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 3070/4885CNR2 4118/4885PGR 2395/4885

“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.