SCHEMBL3278136

SCHEMBL3278136

CCc1ccc(C[C@@H](N)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.44
DPP8 Q6V1X1 1/20 0.41
SMYD3 Q9H7B4 2/20 0.41
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHRM1 P11229 2/20 0.40
OPRK1 P41145 1/20 0.39
ACHE P22303 1/20 0.39
DPP4 P27487 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3278143 1.00 OPRD1 (0.44) OPRD1DPP8SMYD3L3MBTL3L3MBTL1
SCHEMBL3279588 0.96 L3MBTL3 (0.43) OPRD1DPP8SMYD3L3MBTL3L3MBTL1
SCHEMBL3279578 0.96 L3MBTL3 (0.43) OPRD1DPP8SMYD3L3MBTL3L3MBTL1
SCHEMBL3279293 0.92 L3MBTL3 (0.45) OPRD1DPP8SMYD3L3MBTL3L3MBTL1
SCHEMBL3278544 0.92 OPRD1 (0.43) OPRD1DPP8SMYD3L3MBTL3L3MBTL1
SCHEMBL3285684 0.91 CHRM1 (0.46) OPRD1DPP8L3MBTL3L3MBTL1CHRM1
SCHEMBL3279033 0.90 DPP8 (0.48) OPRD1DPP8L3MBTL3L3MBTL1CHRM1
SCHEMBL3282743 0.90 DPP4 (0.39) OPRD1SMYD3DPP4HDAC8
SCHEMBL3279110 0.88 OPRD1 (0.41) OPRD1CHRM1ACHEDPP4
SCHEMBL3278804 0.88 OPRD1 (0.42) OPRD1DPP8SMYD3CHRM1OPRK1

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 9 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-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-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-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-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 (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 OPRD1 7/4885DPP8 1759/4885SMYD3 3988/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA OPRD1 7/4885DPP8 1759/4885SMYD3 3988/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA OPRD1 11/4885DPP8 2853/4885SMYD3 4470/4885

“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.