SCHEMBL2307986

SCHEMBL2307986

CC1[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)CN1c1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 4/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MC4R P32245 9/20 0.38
MC3R P41968 4/20 0.37
MC5R P33032 4/20 0.36
KCNH2 Q12809 3/20 0.36

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
SCHEMBL1919958 0.80 MC4R (0.40) MC4RMC3RMC5RKCNH2
SCHEMBL1946770 0.80 DPP4 (0.47) LMNASMN1; SMN2MC4RMC3RMC5R
SCHEMBL2307075 0.79 LMNA (0.45) PANK3LMNAHTTKMT2AMEN1
SCHEMBL2310545 0.78 MC4R (0.48) PANK3LMNAHTTMC4RMC3R
SCHEMBL4917147 0.77 MC4R (0.47) PANK3LMNAHTTMC4RMC3R
SCHEMBL1920759 0.75 MC4R (0.45) MC4RMC3RMC5RKCNH2
SCHEMBL731968 0.75 LMNA (0.42) PANK3LMNAHTTKMT2AMEN1
SCHEMBL2307981 0.73 KMT2A (0.49) PANK3KMT2AMEN1SMN1; SMN2MC4R
SCHEMBL1920885 0.72 MC4R (0.48) MC4RMC3RMC5RKCNH2
SCHEMBL1920459 0.72 MC4R (0.45) MC4RMC3RMC5RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCE LTD. (KR) 2010-05-13 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 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 (5 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 PANK3 2042/4885LMNA 4285/4885HTT 747/4885
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R PANK3 2042/4885LMNA 4285/4885HTT 747/4885
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R PANK3 2042/4885LMNA 4285/4885HTT 747/4885
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R PANK3 2042/4885LMNA 4285/4885HTT 747/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 PANK3 2396/4885LMNA 4462/4885HTT 2486/4885

“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.