SCHEMBL3279293

SCHEMBL3279293

CCc1ccc(C[C@@H](N)C(=O)N2CCCN(C3CCN(C)CC3)CC2)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CHRM1 P11229 3/20 0.42
DPP8 Q6V1X1 1/20 0.40
OPRD1 P41143 3/20 0.40
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
AKT1 P31749 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CHRM3 P20309 1/20 0.36

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
SCHEMBL3279588 0.96 L3MBTL3 (0.43) L3MBTL3L3MBTL1CHRM1DPP8OPRD1
SCHEMBL3279578 0.96 L3MBTL3 (0.43) L3MBTL3L3MBTL1CHRM1DPP8OPRD1
SCHEMBL3278136 0.92 OPRD1 (0.44) L3MBTL3L3MBTL1CHRM1DPP8OPRD1
SCHEMBL3278143 0.92 OPRD1 (0.44) L3MBTL3L3MBTL1CHRM1DPP8OPRD1
SCHEMBL3285684 0.92 CHRM1 (0.46) L3MBTL3L3MBTL1CHRM1DPP8OPRD1
SCHEMBL3279033 0.89 DPP8 (0.48) L3MBTL3L3MBTL1CHRM1DPP8OPRD1
SCHEMBL3279110 0.87 OPRD1 (0.41) CHRM1OPRD1KMT2AAKT1
SCHEMBL3277831 0.85 OPRD1 (0.41) CHRM1OPRD1GAATSHRAKT1
SCHEMBL3282743 0.84 DPP4 (0.39) OPRD1AKT1SMYD3
SCHEMBL3278544 0.84 OPRD1 (0.43) L3MBTL3L3MBTL1CHRM1DPP8OPRD1

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 3083/4885CHRM1 347/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA L3MBTL3 4478/4885L3MBTL1 3083/4885CHRM1 347/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA L3MBTL3 4549/4885L3MBTL1 2373/4885CHRM1 189/4885

“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.