SCHEMBL13030971

SCHEMBL13030971

CCCC[C@H](N)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.50
DPP4 P27487 3/20 0.50
DPP8 Q6V1X1 2/20 0.50
FAP Q12884 1/20 0.50
DPP9 Q86TI2 1/20 0.50
METAP1 P53582 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM1 P11229 1/20 0.42
L3MBTL3 Q96JM7 5/20 0.42
MBTD1 Q05BQ5 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40

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
SCHEMBL6824161 0.85 DPP7 (0.52) DPP7DPP4DPP8FAPDPP9
SCHEMBL30612345 0.85 DPP7 (0.52) DPP7DPP4DPP8FAPDPP9
SCHEMBL7080188 0.82 CHRM1 (0.41) DPP7DPP4DPP8FAPDPP9
SCHEMBL7080195 0.82 CHRM1 (0.41) DPP7DPP4DPP8FAPDPP9
SCHEMBL30612344 0.81 L3MBTL1 (0.51) DPP7DPP4DPP8FAPDPP9
SCHEMBL17152285 0.80 DPP8 (0.53) DPP7DPP4DPP8DPP9CYP3A4
SCHEMBL26039093 0.77 DPP4 (0.51) DPP7DPP4DPP8FAPDPP9
SCHEMBL3544639 0.77 DPP8 (0.43) DPP8DPP9MEN1KMT2A
SCHEMBL3544637 0.77 DPP8 (0.43) DPP8DPP9MEN1KMT2A
SCHEMBL25754647 0.77 DPP8 (0.47) DPP8CYP3A4CYP2C19CHRM1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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 (1 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA DPP7 3449/4885DPP4 3777/4885DPP8 3752/4885

“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.