SCHEMBL4922802

SCHEMBL4922802

CCCC(=O)N(Cc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
ATM Q13315 1/20 0.53
OPRM1 P35372 3/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
CACNA1G O43497 1/20 0.46
ACKR3 P25106 1/20 0.45
MCHR1 Q99705 1/20 0.44
QPCT Q16769 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
SCHEMBL4924123 0.94 ALDH1A1 (0.56) ALDH1A1POLBGAAATMOPRM1
SCHEMBL4917960 0.93 LMNA (0.49) ALDH1A1POLBGAAATMOPRM1
SCHEMBL4922306 0.92 SMN1; SMN2 (0.48) ALDH1A1POLBGAAATMOPRM1
SCHEMBL4921438 0.90 SMN1; SMN2 (0.46) ALDH1A1POLBGAAATMOPRM1
SCHEMBL4926169 0.90 TSHR (0.55) OPRM1TMEM97SMN1; SMN2CACNA1GACKR3
SCHEMBL4921856 0.89 CCR5 (0.49) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4921293 0.89 ALDH1A1 (0.55) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4921979 0.89 ALDH1A1 (0.56) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4915837 0.88 ALDH1A1 (0.55) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4923478 0.88 ALDH1A1 (0.55) ALDH1A1POLBGAAATMOPRM1

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.