SCHEMBL16632602

SCHEMBL16632602

N#Cc1cc2c(Oc3cc(F)ccc3O)cccn2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
P4HB P07237 2/20 0.31
AR P10275 3/20 0.31
GPR6 P46095 1/20 0.30
SCN9A Q15858 1/20 0.30
AXL P30530 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
SCHEMBL16632571 0.90 GRM5 (0.37) GRM5KDM4EALDH1A1P4HBAR
SCHEMBL16632725 0.88 GRM5 (0.34) GRM5ARAXL
SCHEMBL16632447 0.87 AR (0.39) GRM5AR
SCHEMBL16632347 0.84 GRM5 (0.41) GRM5KDM4EALDH1A1AR
SCHEMBL16632728 0.84 AR (0.46) GRM5KDM4EALDH1A1AR
SCHEMBL16632575 0.81 AR (0.39) GRM5ARGPR6SCN9A
SCHEMBL16632433 0.79 TTR (0.44) AR
SCHEMBL16632694 0.79 GRM5 (0.37) GRM5P4HBARGPR6SCN9A
SCHEMBL16632561 0.78 AR (0.41) GRM5KDM4EALDH1A1AR
SCHEMBL16632488 0.76 AR (0.48) GRM5KDM4EALDH1A1AR

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 2115/4885KDM4E 2839/4885ALDH1A1 1200/4885

“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.