SCHEMBL4923485

SCHEMBL4923485

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
ATM Q13315 1/20 0.53
ACKR3 P25106 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
CACNA1G O43497 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4917794 0.92 LMNA (0.52) ALDH1A1POLBGAAACKR3SMN1; SMN2
SCHEMBL4920802 0.91 SMN1; SMN2 (0.51) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4917811 0.91 PPARG (0.57) ALDH1A1POLBGAAATMACKR3
SCHEMBL4922456 0.90 ALDH1A1 (0.50) ALDH1A1POLBGAAATMSMN1; SMN2
SCHEMBL4922789 0.89 TSHR (0.60) ACKR3SMN1; SMN2LMNACACNA1GTSHR
SCHEMBL4917352 0.89 SMN1; SMN2 (0.49) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL4924772 0.88 ACKR3 (0.53) ALDH1A1GAAACKR3CACNA1GTSHR
SCHEMBL4924133 0.84 ALDH1A1 (0.61) ALDH1A1POLBGAAATMACKR3
SCHEMBL4915799 0.84 L3MBTL1 (0.50) ACKR3SMN1; SMN2LMNATSHRMEN1
SCHEMBL5577516 0.83 ALDH1A1 (0.66) ALDH1A1POLBGAAATMACKR3

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.