SCHEMBL4917811

SCHEMBL4917811

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.46
ACKR3 P25106 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MCHR1 Q99705 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
SCHEMBL4923485 0.91 ALDH1A1 (0.59) PPARGALDH1A1POLBGAAKMT2A
SCHEMBL4917794 0.85 LMNA (0.52) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL4922456 0.84 ALDH1A1 (0.50) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL4920802 0.84 SMN1; SMN2 (0.51) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL4917352 0.82 SMN1; SMN2 (0.49) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL4917802 0.81 PPARG (0.54) PPARGALDH1A1POLBGAAKMT2A
SCHEMBL4922789 0.81 TSHR (0.60) KMT2AMEN1ACKR3SMN1; SMN2LMNA
SCHEMBL4924772 0.80 ACKR3 (0.53) ALDH1A1GAAKMT2AMEN1ACKR3
SCHEMBL4923562 0.78 TSHR (0.54) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL4915799 0.77 L3MBTL1 (0.50) KMT2AMEN1ACKR3SMN1; SMN2LMNA

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.