SCHEMBL3307904

SCHEMBL3307904

CC(C)(N)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.61
ACHE P22303 6/20 0.58
ALDH1A1 P00352 1/20 0.54
CXCR4 P61073 1/20 0.54
BCHE P06276 2/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL803462 0.89 CCR3 (0.67) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL6749556 0.82 CCR3 (0.58) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL15140944 0.80 CCR3 (0.73) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL13003723 0.80 CCR3 (0.55) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL8907111 0.79 CCR3 (0.63) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL803083 0.79 CCR3 (0.58) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL544141 0.79 CCR3 (0.67) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL69200 0.79 CCR3 (0.67) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL6749208 0.79 CCR3 (0.54) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL2735346 0.78 CCR3 (0.71) CCR3ACHEALDH1A1CXCR4SIGMAR1

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 7 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 disclosed
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
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP 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
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CCR3 458/4885ACHE 1031/4885ALDH1A1 1380/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CCR3 458/4885ACHE 1031/4885ALDH1A1 1380/4885

“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.