SCHEMBL3526098

SCHEMBL3526098

Clc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
OGFRL1 Q5TC84 13/20 0.38
OPRL1 P41146 5/20 0.38
TP53 P04637 1/20 0.38
CYP11B2 P19099 1/20 0.38
OPRM1 P35372 10/20 0.38
OPRK1 P41145 10/20 0.38
OPRD1 P41143 9/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL13543533 1.00 SMN1; SMN2 (0.44) SMN1; SMN2OGFRL1OPRL1TP53CYP11B2
SCHEMBL2635863 0.82 SMN1; SMN2 (0.53) SMN1; SMN2OGFRL1OPRL1TP53CYP11B2
SCHEMBL988877 0.82 CCR5 (0.49) SMN1; SMN2CYP11B2
SCHEMBL4022749 0.82 CCR5 (0.49) SMN1; SMN2CYP11B2
SCHEMBL4028493 0.82 CCR5 (0.49) SMN1; SMN2CYP11B2
SCHEMBL3529180 0.82 NOS2 (0.44) OGFRL1OPRL1TP53CYP11B2OPRM1
SCHEMBL13720260 0.82 CCR5 (0.49) SMN1; SMN2CYP11B2
SCHEMBL3863093 0.82 CCR5 (0.49) SMN1; SMN2CYP11B2
Hydrochloric Acid SCHEMBL1573806 0.81 CCR5 (0.48) SMN1; SMN2CYP11B2
Hydrochloric Acid SCHEMBL3525571 0.81 CCR5 (0.48) SMN1; SMN2CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 SMN1; SMN2 4065/4885OGFRL1 210/4885OPRL1 104/4885

“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.