SCHEMBL3279110

SCHEMBL3279110

CCc1ccc(C[C@@H](N)C(=O)N2CCN(C3CCN(CC)CC3)CC2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.41
CHRM1 P11229 3/20 0.40
CHRM4 P08173 1/20 0.39
ACHE P22303 4/20 0.39
AKT1 P31749 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL3279578 0.90 L3MBTL3 (0.43) OPRD1CHRM1AKT1DPP4
SCHEMBL3279588 0.90 L3MBTL3 (0.43) OPRD1CHRM1AKT1DPP4
SCHEMBL3278143 0.88 OPRD1 (0.44) OPRD1CHRM1ACHEDPP4
SCHEMBL3278136 0.88 OPRD1 (0.44) OPRD1CHRM1ACHEDPP4
SCHEMBL3285684 0.88 CHRM1 (0.46) OPRD1CHRM1DPP4
SCHEMBL3277831 0.87 OPRD1 (0.41) OPRD1CHRM1AKT1DPP4
SCHEMBL3279033 0.87 DPP8 (0.48) OPRD1CHRM1
SCHEMBL3284592 0.87 OPRD1 (0.44) OPRD1CHRM1DPP4
SCHEMBL3278804 0.87 OPRD1 (0.42) OPRD1CHRM1AKT1DPP4
SCHEMBL3284606 0.87 OPRD1 (0.44) OPRD1CHRM1DPP4

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 OPRD1 7/4885CHRM1 347/4885CHRM4 553/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA OPRD1 7/4885CHRM1 347/4885CHRM4 553/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA OPRD1 11/4885CHRM1 189/4885CHRM4 389/4885

“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.