SCHEMBL3554276

SCHEMBL3554276

CCOC(=O)C(O)(c1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.54
CYP3A4 P08684 6/20 0.49
CYP3A5 P20815 5/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RORC P51449 1/20 0.41

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
SCHEMBL4193601 0.89 MEN1 (0.50) CYP3A4MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL27347358 0.85 MEN1 (0.54) CYP3A4MEN1KMT2ASMN1; SMN2ABCB11
Chlorobenzilate SCHEMBL28048828 0.85 MEN1 (0.60) CYP3A4MEN1KMT2ASMN1; SMN2ABCB11
Chlorobenzilate SCHEMBL73255 0.85 MEN1 (0.60) CYP3A4MEN1KMT2ASMN1; SMN2ABCB11
Chlorobenzilate SCHEMBL6243435 0.82 MEN1 (0.54) CYP19A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL3556980 0.79 CYP19A1 (0.64) CYP19A1CYP3A4CYP3A5
SCHEMBL8330075 0.76 MAPK1 (0.49) CYP19A1CYP3A4MAPK1SMN1; SMN2CYP1A2
SCHEMBL1225868 0.76 TDP1 (0.56) CYP19A1CYP3A4MAPK1SMN1; SMN2CYP1A2
Chlorobenzilate SCHEMBL29993079 0.76 KMT2A (0.48) CYP19A1CYP3A4MEN1KMT2AABCB11
SCHEMBL2763579 0.75 POLB (0.62) MEN1KMT2ASMN1; SMN2TSHRALDH1A1

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
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR CYP19A1 156/4885CYP3A4 1270/4885CYP3A5 776/4885

“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.