SCHEMBL2309105

SCHEMBL2309105

O=C(O)[C@@H]1CN(c2ccc(=O)[nH]n2)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 3/20 0.36
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL2306878 0.86 MEN1 (0.42) KMT2AMEN1ALDH1A1
SCHEMBL4229828 0.84 HRH3 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2304054 0.79 HTT (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2306430 0.78 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2310039 0.77 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2306880 0.76 NOTUM (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12536957 0.75 MC4R (0.44) HRH3AKR1B1
SCHEMBL15039687 0.74 MC4R (0.36) HRH3
SCHEMBL2307088 0.71 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15252718 0.70 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350060-B1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2013-09-18 EP disclosed
US-8288386-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2012-10-16 US disclosed
US-8236955-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2012-08-07 US disclosed
US-8183243-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2012-05-22 US disclosed
US-8039622-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-10-18 US disclosed
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-10-06 US disclosed
US-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-09-29 US disclosed
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2011-09-15 US disclosed
EP-2350060-A2 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd (KR) 2011-08-03 EP disclosed
WO-2010056022-A2 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2010-05-20 WO disclosed
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCE LTD. (KR) 2010-05-13 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 (4 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-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R CYP1A2 2269/4885CYP3A4 2677/4885CYP2D6 2645/4885
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R CYP1A2 2269/4885CYP3A4 2677/4885CYP2D6 2645/4885
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R CYP1A2 2269/4885CYP3A4 2677/4885CYP2D6 2645/4885
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R CYP1A2 2269/4885CYP3A4 2677/4885CYP2D6 2645/4885

“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.