SCHEMBL14716038

SCHEMBL14716038

CC1(CNC(=O)O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.55
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPFFR1 Q9GZQ6 5/20 0.50
NPFFR2 Q9Y5X5 5/20 0.50
OPRL1 P41146 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
OPRK1 P41145 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL3272594 0.92 CYP2D6 (0.49) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1316305 0.84 OPRL1 (0.55) CYP2D6ALDH1A1CYP3A4NPFFR1NPFFR2
SCHEMBL14728238 0.83 NPFFR1 (0.64) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20572136 0.83 NPFFR1 (0.60) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL12372531 0.82 CYP2D6 (0.51) CYP2D6ALDH1A1CYP3A4NPFFR1NPFFR2
SCHEMBL2842737 0.82 NPFFR1 (0.69) CYP2D6CYP3A4CYP2C19NPFFR1NPFFR2
SCHEMBL16915597 0.81 NPFFR1 (0.57) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL18319830 0.80 NPFFR1 (0.54) CYP2D6ALDH1A1NPFFR1NPFFR2CHRM2
SCHEMBL2281012 0.80 CYP2D6 (0.50) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5149023 0.79 DPP4 (0.58) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
EP-2565194-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 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-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE PDE4B, PDE4A, PDE4C CYP2D6 2200/4885ALDH1A1 1070/4885CYP3A4 379/4885

“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.