SCHEMBL3282806

SCHEMBL3282806

CCc1ccc(C[C@@H](N)C(=O)N2CC(N3CCCCCC3)C2)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.40
DPP7 Q9UHL4 8/20 0.39
DPP4 P27487 4/20 0.39
OPRD1 P41143 3/20 0.39
CHRM1 P11229 2/20 0.39
CYP2D6 P10635 1/20 0.38
MCHR1 Q99705 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
FAP Q12884 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ALOX15 P16050 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
SCHEMBL3278347 1.00 DPP8 (0.40) DPP8DPP7DPP4OPRD1CHRM1
SCHEMBL3279072 0.99 DPP4 (0.40) DPP8DPP7DPP4OPRD1CHRM1
SCHEMBL3282743 0.90 DPP4 (0.39) DPP4OPRD1HDAC8
SCHEMBL3279033 0.90 DPP8 (0.48) DPP8OPRD1CHRM1CYP2D6ALOX15
SCHEMBL3285684 0.86 CHRM1 (0.46) DPP8DPP4OPRD1CHRM1ALOX15
SCHEMBL3279293 0.81 L3MBTL3 (0.45) DPP8OPRD1CHRM1ALOX15
SCHEMBL3278143 0.80 OPRD1 (0.44) DPP8DPP4OPRD1CHRM1HDAC8
SCHEMBL3278136 0.80 OPRD1 (0.44) DPP8DPP4OPRD1CHRM1HDAC8
SCHEMBL3279578 0.80 L3MBTL3 (0.43) DPP8DPP4OPRD1CHRM1HDAC8
SCHEMBL3279588 0.80 L3MBTL3 (0.43) DPP8DPP4OPRD1CHRM1HDAC8

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 DPP8 1759/4885DPP7 1111/4885DPP4 1040/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA DPP8 1759/4885DPP7 1111/4885DPP4 1040/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA DPP8 2853/4885DPP7 2606/4885DPP4 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.