SCHEMBL4917802

SCHEMBL4917802

COc1ccc(CNC(=O)c2ccc(CN(C(=O)C(C)C)C3CCN(Cc4ccc(F)cc4F)CC3)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.44
HTR2A P28223 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MCHR1 Q99705 2/20 0.43
LMNA P02545 1/20 0.43
WDR5 P61964 1/20 0.42
CTSD P07339 1/20 0.42

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
SCHEMBL4923478 0.92 ALDH1A1 (0.55) PPARGALDH1A1POLBGAAATM
SCHEMBL4922466 0.87 TSHR (0.52) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL4924613 0.87 SMN1; SMN2 (0.49) ALDH1A1POLBGAAHTR2ASMN1; SMN2
SCHEMBL4917788 0.87 LMNA (0.49) ALDH1A1POLBGAASMN1; SMN2MCHR1
SCHEMBL4920792 0.86 SMN1; SMN2 (0.49) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4922442 0.86 ALDH1A1 (0.47) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4921293 0.85 ALDH1A1 (0.55) PPARGALDH1A1POLBGAAATM
SCHEMBL4921996 0.85 ALDH1A1 (0.50) PPARGALDH1A1KMT2AMEN1HTR2A
SCHEMBL4917345 0.84 SMN1; SMN2 (0.47) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4924218 0.83 CCR5 (0.49) ALDH1A1POLBGAAKMT2AMEN1

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 PPARG 468/4885ALDH1A1 1255/4885POLB 2562/4885

“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.