SCHEMBL3279461

SCHEMBL3279461

Cc1ccc(CC(N)C(=O)N2CCC(C3CCN(C)CC3)CC2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.47
OPRD1 P41143 4/20 0.45
DPP4 P27487 6/20 0.43
SMYD3 Q9H7B4 1/20 0.43
HDAC8 Q9BY41 2/20 0.41

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 0.87 L3MBTL3 (0.44) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL3285190 0.87 OPRK1 (0.44) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL7012431 0.86 OPRK1 (0.44) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL30429936 0.84 DPP4 (0.60) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL5891540 0.83 HDAC8 (0.60) OPRK1OPRD1DPP4HDAC8
Hydrochloric Acid SCHEMBL5891327 0.81 HDAC8 (0.61) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL3279496 0.81 DPP8 (0.49) OPRK1OPRD1
SCHEMBL7008911 0.81 SMYD3 (0.43) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL7008909 0.81 SMYD3 (0.43) OPRK1OPRD1DPP4SMYD3HDAC8
SCHEMBL5659284 0.81 F10 (0.43) OPRK1OPRD1SMYD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 7/4885DPP4 1040/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA OPRK1 10/4885OPRD1 11/4885DPP4 1153/4885

“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.