SCHEMBL3285190

SCHEMBL3285190

Cc1ccc(CC(N)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.44
OPRD1 P41143 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM1 P11229 2/20 0.41
CCR5 P51681 1/20 0.41
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
DPP4 P27487 2/20 0.39
HDAC8 Q9BY41 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
SCHEMBL3284873 0.96 L3MBTL3 (0.44) OPRK1OPRD1MEN1KMT2ADPP8
SCHEMBL3314682 0.90 OPRK1 (0.42) OPRK1OPRD1DPP8SMYD3L3MBTL3
SCHEMBL4718313 0.90 OPRK1 (0.42) OPRK1OPRD1DPP8SMYD3L3MBTL3
SCHEMBL3278544 0.90 OPRD1 (0.43) OPRK1OPRD1MEN1KMT2ADPP8
SCHEMBL3279496 0.90 DPP8 (0.49) OPRK1OPRD1DPP8L3MBTL3L3MBTL1
SCHEMBL3279461 0.87 OPRK1 (0.47) OPRK1OPRD1SMYD3DPP4HDAC8
SCHEMBL4717842 0.86 L3MBTL3 (0.41) OPRK1OPRD1DPP8SMYD3L3MBTL3
SCHEMBL4722468 0.86 AKT1 (0.43) OPRK1OPRD1L3MBTL3L3MBTL1CHRM1
SCHEMBL3278143 0.86 OPRD1 (0.44) OPRK1OPRD1DPP8SMYD3L3MBTL3
SCHEMBL3278136 0.86 OPRD1 (0.44) OPRK1OPRD1DPP8SMYD3L3MBTL3

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 OPRK1 6/4885OPRD1 7/4885MEN1 1877/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA OPRK1 6/4885OPRD1 7/4885MEN1 1877/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA OPRK1 10/4885OPRD1 11/4885MEN1 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.