SCHEMBL4866631

SCHEMBL4866631

C=CCN(CC#CCCC)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.31
CA14 Q9ULX7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12492869 0.84 DPP4 (0.38) DPP4ALDH1A1CA14
SCHEMBL956549 0.79 ALDH1A1 (0.42) DPP4ALDH1A1CA14L3MBTL1
SCHEMBL18306605 0.79 DPP4 (0.56) DPP4ALDH1A1CA14
SCHEMBL4872179 0.79 DPP4 (0.39) DPP4ALDH1A1CA14L3MBTL1
SCHEMBL3178526 0.78 ALDH1A1 (0.38) DPP4ALDH1A1CA14L3MBTL1
SCHEMBL376711 0.73 ALDH1A1 (0.37) DPP4ALDH1A1CA14L3MBTL1
SCHEMBL3020149 0.73 CA14 (0.49) DPP4ALDH1A1CA14L3MBTL1
Alcohol SCHEMBL17363353 0.73 SSTR4 (0.40) DPP4ALDH1A1CA14L3MBTL1
SCHEMBL23540791 0.72 ALDH1A1 (0.36) DPP4ALDH1A1CA14L3MBTL1
SCHEMBL15668049 0.72 SSTR4 (0.41) DPP4ALDH1A1CA14L3MBTL1

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-7381738-B2 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7288563-B2 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-30 US disclosed
US-20050227960-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US disclosed
US-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
WO-2005079519-A2 SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
WO-2005079496-A2 SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO 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-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, BDKRB1 DPP4 3375/4885ALDH1A1 2875/4885CA14 4117/4885
US-20050227960-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, CCR10 DPP4 2937/4885ALDH1A1 1969/4885CA14 3869/4885

“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.