SCHEMBL3329158

SCHEMBL3329158

Cc1cccc(C2CCCN2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM5 P08912 5/20 0.44
CHRM3 P20309 5/20 0.44
CHRM4 P08173 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
TAAR1 Q96RJ0 2/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30361436 1.00 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL24581796 1.00 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
Hydrochloric Acid SCHEMBL29698922 0.98 CHRM2 (0.42) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL2598789 0.80 PDCD1LG2 (0.50) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL2598788 0.80 PDCD1LG2 (0.50) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL14290419 0.80 CCR1 (0.48) CCR1CCR8POLBSMN1; SMN2
SCHEMBL17440986 0.79 CHRNB2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL30989319 0.79 CHRNB2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL5088449 0.78 CCR1 (0.39) CCR1CCR8POLB
SCHEMBL22735547 0.76 MEN1 (0.45) CHRM2CHRM5CHRM3CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (2 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 CHRM2 38/4885CHRM5 54/4885CHRM3 88/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 CHRM2 730/4885CHRM5 1709/4885CHRM3 2269/4885

“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.