SCHEMBL3279072

SCHEMBL3279072

CCc1ccc(C[C@@H](N)C(=O)N2CC(N3CCCC3)C2)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
OPRD1 P41143 3/20 0.40
CHRM1 P11229 2/20 0.39
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
FAP Q12884 1/20 0.37
DPP9 Q86TI2 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3282806 0.99 DPP8 (0.40) DPP4OPRD1CHRM1DPP8DPP7
SCHEMBL3278347 0.99 DPP8 (0.40) DPP4OPRD1CHRM1DPP8DPP7
SCHEMBL3282743 0.91 DPP4 (0.39) DPP4OPRD1HDAC8
SCHEMBL3279033 0.89 DPP8 (0.48) OPRD1CHRM1DPP8L3MBTL3L3MBTL1
SCHEMBL3285684 0.87 CHRM1 (0.46) DPP4OPRD1CHRM1DPP8L3MBTL3
SCHEMBL3279293 0.82 L3MBTL3 (0.45) OPRD1CHRM1DPP8L3MBTL3L3MBTL1
SCHEMBL3278136 0.81 OPRD1 (0.44) DPP4OPRD1CHRM1DPP8HDAC8
SCHEMBL3279578 0.81 L3MBTL3 (0.43) DPP4OPRD1CHRM1DPP8HDAC8
SCHEMBL3278143 0.81 OPRD1 (0.44) DPP4OPRD1CHRM1DPP8HDAC8
SCHEMBL3279588 0.81 L3MBTL3 (0.43) DPP4OPRD1CHRM1DPP8HDAC8

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 DPP4 1040/4885OPRD1 7/4885CHRM1 347/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA DPP4 1040/4885OPRD1 7/4885CHRM1 347/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA DPP4 1153/4885OPRD1 11/4885CHRM1 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.