SCHEMBL17995186

SCHEMBL17995186

C=C(N)N1CCC(C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GAA P10253 1/20 0.32
OPRL1 P41146 1/20 0.31
DPP4 P27487 5/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL681442 0.80 CPN1 (0.33) CPN1CPB2MEN1ALDH1A1KMT2A
SCHEMBL13804436 0.80 CPN1 (0.49) CCR2CPN1CPB2GAA
SCHEMBL26203697 0.79 DPP4 (0.33) DPP4DPP8DPP9DPP7
SCHEMBL21573595 0.78 MEN1 (0.31) MEN1ALDH1A1KMT2A
SCHEMBL1109055 0.78 CPN1 (0.40) CCR2CPN1CPB2GAAOPRL1
SCHEMBL26203723 0.77
SCHEMBL18161032 0.77 GAA (0.33) CPN1CPB2GAAOPRL1DPP4
SCHEMBL25583932 0.77
SCHEMBL19999882 0.75
SCHEMBL21431293 0.75 CCR2 (0.32) CCR2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229839-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-11 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-20160229839-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI CCR2 1977/4885CPN1 2208/4885CPB2 79/4885

“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.