SCHEMBL3279033

SCHEMBL3279033

CCc1ccc(C[C@@H](N)C(=O)N2CCC(N3CCCCC3)CC2)cc1CC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.48
CHRM1 P11229 2/20 0.48
ALOX15 P16050 1/20 0.47
OPRD1 P41143 3/20 0.45
L3MBTL3 Q96JM7 8/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
MBTD1 Q05BQ5 6/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 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
SCHEMBL3285684 0.97 CHRM1 (0.46) DPP8CHRM1ALOX15OPRD1L3MBTL3
SCHEMBL3278136 0.90 OPRD1 (0.44) DPP8CHRM1ALOX15OPRD1L3MBTL3
SCHEMBL3278143 0.90 OPRD1 (0.44) DPP8CHRM1ALOX15OPRD1L3MBTL3
SCHEMBL3282806 0.90 DPP8 (0.40) DPP8CHRM1ALOX15OPRD1CYP2D6
SCHEMBL3278347 0.90 DPP8 (0.40) DPP8CHRM1ALOX15OPRD1CYP2D6
SCHEMBL3279072 0.89 DPP4 (0.40) DPP8CHRM1OPRD1L3MBTL3L3MBTL1
SCHEMBL3279293 0.89 L3MBTL3 (0.45) DPP8CHRM1ALOX15OPRD1L3MBTL3
SCHEMBL3279578 0.88 L3MBTL3 (0.43) DPP8CHRM1OPRD1L3MBTL3L3MBTL1
SCHEMBL3279588 0.88 L3MBTL3 (0.43) DPP8CHRM1OPRD1L3MBTL3L3MBTL1
SCHEMBL3279110 0.87 OPRD1 (0.41) CHRM1OPRD1

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 6 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-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-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 1759/4885CHRM1 347/4885ALOX15 2420/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA DPP8 1759/4885CHRM1 347/4885ALOX15 2420/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA DPP8 2853/4885CHRM1 189/4885ALOX15 1113/4885

“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.