SCHEMBL3285684

SCHEMBL3285684

CCc1ccc(C[C@@H](N)C(=O)N2CCC(N3CCC3)CC2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.46
OPRD1 P41143 3/20 0.46
DPP8 Q6V1X1 1/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL3 Q96JM7 7/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
OPRK1 P41145 1/20 0.41
MBTD1 Q05BQ5 2/20 0.40
DPP4 P27487 2/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 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
SCHEMBL3279033 0.97 DPP8 (0.48) CHRM1OPRD1DPP8ALOX15L3MBTL3
SCHEMBL3279293 0.92 L3MBTL3 (0.45) CHRM1OPRD1DPP8ALOX15L3MBTL3
SCHEMBL3278136 0.91 OPRD1 (0.44) CHRM1OPRD1DPP8ALOX15L3MBTL3
SCHEMBL3278143 0.91 OPRD1 (0.44) CHRM1OPRD1DPP8ALOX15L3MBTL3
SCHEMBL3279578 0.89 L3MBTL3 (0.43) CHRM1OPRD1DPP8L3MBTL3L3MBTL1
SCHEMBL3279588 0.89 L3MBTL3 (0.43) CHRM1OPRD1DPP8L3MBTL3L3MBTL1
SCHEMBL3279110 0.88 OPRD1 (0.41) CHRM1OPRD1DPP4
SCHEMBL3284606 0.87 OPRD1 (0.44) CHRM1OPRD1DPP8ALOX15OPRK1
SCHEMBL3284592 0.87 OPRD1 (0.44) CHRM1OPRD1DPP8ALOX15OPRK1
SCHEMBL3278804 0.87 OPRD1 (0.42) CHRM1OPRD1DPP8OPRK1DPP4

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 CHRM1 347/4885OPRD1 7/4885DPP8 1759/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CHRM1 347/4885OPRD1 7/4885DPP8 1759/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA CHRM1 189/4885OPRD1 11/4885DPP8 2853/4885

“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.