SCHEMBL4072585

SCHEMBL4072585

O=C(O)C1(Oc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.53
CYP3A4 P08684 7/20 0.53
TSHR P16473 5/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD2 P14416 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
HPGD P15428 1/20 0.45
CCR3 P51677 1/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 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
SCHEMBL8128074 0.93 CYP2D6 (0.60) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL4072580 0.91 CYP2D6 (0.53) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL4077814 0.89 CYP2D6 (0.53) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL4069184 0.89 CYP2D6 (0.61) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL1241618 0.86 TP53 (0.55) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL4070218 0.83 CYP2D6 (0.53) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL4073865 0.80 CYP2D6 (0.53) CYP2D6CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL31117822 0.76 MAP4K4 (0.61) CYP2D6CYP3A4CYP1A2CYP2C19HPGD
SCHEMBL2459892 0.76 MAP4K4 (0.57) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL8141053 0.75 TP53 (0.51) CYP2D6CYP3A4TSHRALDH1A1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037919-A2 METHOD OF USING SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY SCHERING CORPORATION (US) 2009-03-25 EP disclosed
WO-2008005266-A2 METHOD OF USING SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY SCHERING CORPORATION (US) 2008-01-10 WO disclosed
US-20080004286-A1 Method of Using Substituted Piperidines that Increase P53 Activity SCHERING CORPORATION 2008-01-03 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-20080004286-A1 Method of Using Substituted Piperidines that Increase P53 Activity TP53, MDM2, TP53BP1 CYP2D6 3444/4885CYP3A4 3524/4885TSHR 4156/4885

“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.