SCHEMBL3466907

SCHEMBL3466907

CCC(N)C1CCCN(C(C)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
DPP4 P27487 12/20 0.39
DPP7 Q9UHL4 7/20 0.39
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
FAP Q12884 1/20 0.37
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3465079 0.87 CPN1 (0.43) CPN1CPB2DPP4DPP7DPP8
SCHEMBL20082904 0.82 GAA (0.40) CPN1CPB2DPP4DPP7DPP8
SCHEMBL29337224 0.81 CPN1 (0.40) CPN1CPB2DPP4DPP7DPP8
SCHEMBL3465333 0.81 DPP4 (0.52) CPN1CPB2DPP4DPP7DPP8
SCHEMBL20082953 0.78 EPHX2 (0.40) CPN1CPB2GAACYP2C9CYP2C19
SCHEMBL463524 0.78 EPHX2 (0.40) CPN1CPB2GAACYP2C9CYP2C19
SCHEMBL7883654 0.78 EPHX2 (0.40) CPN1CPB2GAACYP2C9CYP2C19
SCHEMBL20738587 0.75 EPHX2 (0.38) CPN1CPB2GAACYP2C9CYP2C19
SCHEMBL3465967 0.74 SHBG (0.34) DPP4DPP7DPP8DPP9FAP
SCHEMBL13741300 0.73 CA1 (0.47) GAACYP2C9CYP2C19SIGMAR1KMT2A

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CPN1 3604/4885CPB2 3522/4885DPP4 3185/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CPN1 2639/4885CPB2 1433/4885DPP4 3493/4885

“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.