SCHEMBL4923478

SCHEMBL4923478

COc1ccc(CNC(=O)c2ccc(CN(C(=O)C(C)C)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
ACKR3 P25106 1/20 0.46
PPARG P37231 1/20 0.46
CACNA1G O43497 1/20 0.45
MCHR1 Q99705 2/20 0.45
QPCT Q16769 1/20 0.44
HTR2A P28223 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL4921293 0.93 ALDH1A1 (0.55) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4917788 0.93 LMNA (0.49) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4922466 0.93 TSHR (0.52) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4924613 0.93 SMN1; SMN2 (0.49) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4917802 0.92 PPARG (0.54) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4920792 0.92 SMN1; SMN2 (0.49) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4922442 0.90 ALDH1A1 (0.47) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4917345 0.90 SMN1; SMN2 (0.47) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4924123 0.89 ALDH1A1 (0.56) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4921979 0.89 ALDH1A1 (0.56) ALDH1A1POLBGAAATMSMN1; SMN2

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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2008-04-03 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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity CCR1, CCR3, CCR2 ALDH1A1 1255/4885POLB 2562/4885GAA 4442/4885

“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.