SCHEMBL16632571

SCHEMBL16632571

N#Cc1cc2c(Oc3ccc(F)cc3O)cccn2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
P4HB P07237 2/20 0.33
AXL P30530 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MET P08581 1/20 0.32
AR P10275 3/20 0.31

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
SCHEMBL16632602 0.90 GRM5 (0.37) GRM5P4HBAXLKDM4EALDH1A1
SCHEMBL16632725 0.88 GRM5 (0.34) GRM5AXLAR
SCHEMBL16632447 0.87 AR (0.39) GRM5AR
SCHEMBL16632433 0.86 TTR (0.44) AR
SCHEMBL16632694 0.86 GRM5 (0.37) GRM5P4HBAR
SCHEMBL16632728 0.84 AR (0.46) GRM5KDM4EALDH1A1AR
SCHEMBL16632347 0.84 GRM5 (0.41) GRM5KDM4EALDH1A1AR
SCHEMBL16632736 0.83 GRM5 (0.35) GRM5P4HBAR
SCHEMBL16632586 0.83 GRM5 (0.40) GRM5P4HBAR
SCHEMBL16632575 0.79 AR (0.39) GRM5AR

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 1959/4885AXL 4443/4885

“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.