SCHEMBL3314682

SCHEMBL3314682

Cc1cc(CC(N)C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
CCR3 P51677 4/20 0.41
AKT1 P31749 2/20 0.41
OPRD1 P41143 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
MC4R P32245 1/20 0.41
DPP7 Q9UHL4 2/20 0.40
DPP4 P27487 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
RAMP1 O60894 1/20 0.39
CALCRL Q16602 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM1 P11229 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR5 P51681 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
SCHEMBL4722468 0.96 AKT1 (0.43) OPRK1CCR3AKT1OPRD1AKT2
SCHEMBL4722265 0.91 DPP8 (0.47) OPRK1DPP8CHRM1L3MBTL3L3MBTL1
SCHEMBL3285190 0.90 OPRK1 (0.44) OPRK1OPRD1DPP4SMYD3DPP8
SCHEMBL4718313 0.88 OPRK1 (0.42) OPRK1CCR3OPRD1DPP7DPP4
SCHEMBL4717751 0.86 MC4R (0.43) OPRK1CCR3AKT1OPRD1AKT2
SCHEMBL3284873 0.86 L3MBTL3 (0.44) OPRK1OPRD1MC4RDPP4SMYD3
SCHEMBL3278544 0.85 OPRD1 (0.43) OPRK1CCR3OPRD1SMYD3DPP8
SCHEMBL3311183 0.84 OPRK1 (0.39) OPRK1OPRD1SMYD3DPP8RAMP1
SCHEMBL4717842 0.83 L3MBTL3 (0.41) OPRK1AKT1OPRD1DPP7DPP4
SCHEMBL3278136 0.83 OPRD1 (0.44) OPRK1OPRD1DPP4SMYD3DPP8

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 OPRK1 24/4885CCR3 458/4885AKT1 4533/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA OPRK1 24/4885CCR3 458/4885AKT1 4533/4885

“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.