SCHEMBL3284873

SCHEMBL3284873

Cc1ccc(CC(N)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 6/20 0.42
CHRM1 P11229 1/20 0.41
OPRD1 P41143 1/20 0.41
MC4R P32245 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP4 P27487 2/20 0.39
CYP3A4 P08684 1/20 0.39
CALCRL Q16602 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL3285190 0.96 OPRK1 (0.44) L3MBTL3L3MBTL1MEN1KMT2AOPRK1
SCHEMBL4722468 0.90 AKT1 (0.43) L3MBTL3L3MBTL1OPRK1CHRM1OPRD1
SCHEMBL4717842 0.90 L3MBTL3 (0.41) L3MBTL3L3MBTL1OPRK1CHRM1OPRD1
SCHEMBL3279496 0.88 DPP8 (0.49) L3MBTL3L3MBTL1OPRK1CHRM1OPRD1
SCHEMBL3279461 0.87 OPRK1 (0.47) OPRK1OPRD1SMYD3DPP4HDAC8
SCHEMBL3314682 0.86 OPRK1 (0.42) L3MBTL3L3MBTL1OPRK1CHRM1OPRD1
SCHEMBL4718313 0.86 OPRK1 (0.42) L3MBTL3L3MBTL1OPRK1CHRM1OPRD1
SCHEMBL3278544 0.86 OPRD1 (0.43) L3MBTL3L3MBTL1MEN1KMT2AOPRK1
SCHEMBL3282545 0.86 L3MBTL3 (0.46) L3MBTL3L3MBTL1CHRM1OPRD1SMYD3
SCHEMBL3279578 0.86 L3MBTL3 (0.43) L3MBTL3L3MBTL1CHRM1OPRD1SMYD3

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-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (3 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA L3MBTL3 4478/4885L3MBTL1 3083/4885MEN1 1877/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA L3MBTL3 4478/4885L3MBTL1 3083/4885MEN1 1877/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA L3MBTL3 4549/4885L3MBTL1 2373/4885MEN1 1707/4885

“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.