SCHEMBL2276952

SCHEMBL2276952

COC(=O)C1CN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.54
LTA4H P09960 2/20 0.47
MAPT P10636 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
CYP19A1 P11511 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 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
SCHEMBL3120175 0.87 SIGMAR1 (0.54) FKBP1A
SCHEMBL17913827 0.87 FKBP1A (0.47) FKBP1ALTA4HMAPTALDH1A1CYP3A4
SCHEMBL17919877 0.87 FKBP1A (0.47) FKBP1ALTA4H
SCHEMBL24938939 0.86 CYP3A4 (0.50) FKBP1AMAPTKDM4EALDH1A1CYP3A4
SCHEMBL5368566 0.86 CYP3A4 (0.50) FKBP1AMAPTKDM4EALDH1A1CYP3A4
SCHEMBL19853295 0.86 ALDH1A1 (0.47) FKBP1ALTA4HMAPTTRPM8KDM4E
SCHEMBL15325590 0.86 CYP3A4 (0.50) FKBP1AMAPTKDM4EALDH1A1CYP3A4
SCHEMBL4249938 0.86 CYP3A4 (0.50) FKBP1AMAPTKDM4EALDH1A1CYP3A4
SCHEMBL19408855 0.86 CYP3A4 (0.50) FKBP1AMAPTKDM4EALDH1A1CYP3A4
SCHEMBL2818883 0.86 CYP3A4 (0.50) FKBP1AMAPTKDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
US-20070129346-A1 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2007-06-07 US disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO 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-20070129346-A1 Melanocortin receptor agonists MC1R, MC3R, MC5R FKBP1A 2576/4885LTA4H 1038/4885MAPT 872/4885

“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.