SCHEMBL3314680

SCHEMBL3314680

Cc1cc(C[CH]C(=O)N2CCC(N3CCN(C(N)=O)CC3)CC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CCR5 P51681 2/20 0.39
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL4722465 1.00 CCR3 (0.41) CCR3HRH3CCR5ACACBACACA
SCHEMBL3284870 0.90 CCR5 (0.41) CCR3CCR5ACACBACACASMN1; SMN2
SCHEMBL3285188 0.90 CCR5 (0.41) CCR3CCR5ACACBACACASMN1; SMN2
SCHEMBL4718312 0.88 CCR5 (0.39) CCR3HRH3CCR5ACACBACACA
SCHEMBL4717841 0.88 CCR5 (0.39) CCR3HRH3CCR5ACACBACACA
SCHEMBL5250813 0.88 CCR3 (0.38) CCR3HRH3CCR5ACACBACACA
SCHEMBL3278543 0.85 GAA (0.41) CCR3CCR5ACACBACACASMN1; SMN2
SCHEMBL3311181 0.84 CCR5 (0.36) CCR3HRH3CCR5ACACBACACA
SCHEMBL4717935 0.84 CCR5 (0.36) CCR3HRH3CCR5ACACBACACA
SCHEMBL3279563 0.83 ACACB (0.38) HRH3CCR5ACACBACACASMN1; SMN2

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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US claimed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 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 (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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CCR3 458/4885HRH3 123/4885CCR5 690/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CCR3 458/4885HRH3 123/4885CCR5 690/4885

“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.