SCHEMBL12465682

SCHEMBL12465682

CC(C)CCN(CCC(C)C)C(=O)c1cc[n+](N)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.42
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
F7 P08709 2/20 0.42
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
MC4R P32245 10/20 0.38
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL6207340 0.80 HPGD (0.51) MLYCDF2F10F7LPAR1
SCHEMBL12687787 0.77 MLYCD (0.44) MLYCDF2F10F7LPAR1
SCHEMBL12156556 0.75 MLYCD (0.43) MLYCDF2F10F7LPAR1
SCHEMBL8806252 0.72 HPGD (0.47) MLYCDF2F10F7LPAR1
SCHEMBL14261133 0.72 MLYCD (0.48) MLYCDF2F10F7LPAR1
SCHEMBL13691952 0.71 MLYCD (0.41) MLYCDF2F10F7LPAR1
SCHEMBL3041802 0.71 GABRP (0.47) MLYCDF2F10F7LPAR1
SCHEMBL8045803 0.69 F2 (0.40) MLYCDF2F10F7LPAR1
SCHEMBL10460373 0.69 MLYCD (0.48) MLYCDF2F10F7LPAR1
SCHEMBL31035945 0.68 MLYCD (0.52) MLYCDLPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal 2015-07-16 US disclosed
US-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal 2015-07-16 US disclosed
US-9018395-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators Université de Montréal (CA) 2015-04-28 US disclosed
US-9018395-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators Université de Montréal (CA) 2015-04-28 US disclosed
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2014-02-27 US disclosed
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2014-02-27 US disclosed
WO-2012100342-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-08-02 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 (2 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-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MLYCD 2363/4885F2 3397/4885F10 3709/4885
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MLYCD 1869/4885F2 3090/4885F10 3370/4885

“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.