SCHEMBL3343259

SCHEMBL3343259

C=CCN1CCC(NC=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.48
ADH1A P07327 4/20 0.48
ADH1C P00326 3/20 0.45
ADH7 P40394 2/20 0.45
ADH4 P08319 1/20 0.43
DRD2 P14416 3/20 0.34
HTR2A P28223 3/20 0.34
DRD3 P35462 3/20 0.34
TEAD1 P28347 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL14201631 0.78 OPRM1 (0.33) DRD2HTR2ADRD3TEAD1OPRM1
SCHEMBL1781920 0.76 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3343255 0.76 HRH3 (0.31) TEAD1OPRM1OPRD1SIGMAR1
SCHEMBL4502992 0.74 SIGMAR1 (0.35) DRD2HTR2ADRD3OPRM1OPRD1
SCHEMBL2175514 0.74 OPRM1 (0.38) DRD2HTR2ADRD3OPRM1OPRD1
SCHEMBL9545500 0.73 SIGMAR1 (0.36) DRD2DRD3OPRM1OPRD1SIGMAR1
SCHEMBL1307156 0.73 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL23741025 0.72 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL25043754 0.72 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL4684725 0.72 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4

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 6 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-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 claimed
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
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 ADH1B 1201/4885ADH1A 831/4885ADH1C 1322/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ADH1B 1201/4885ADH1A 831/4885ADH1C 1322/4885

“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.