SCHEMBL2686648

SCHEMBL2686648

NCC1CNc2cccc(F)c2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
HTR1A P08908 3/20 0.35
CA2 P00918 1/20 0.35
CASR P41180 1/20 0.32
AQP1 P29972 1/20 0.32
HTR2A P28223 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL3219451 0.89 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3220862 0.89 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3208534 0.89 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3210653 0.84 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3202664 0.84 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3216283 0.84 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2687113 0.84 BRD4 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3218119 0.83 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3211687 0.83 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3203181 0.83 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438050-B9 NOVEL DERIVATIVES OF ARYL-{4-HALOGENO-4-[AMINOMETHYL]-PIPERIDIN-1-YL}-METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS PF MEDICAMENT (FR) 2014-04-23 EP disclosed
US-8669250-B2 Derivatives of aryl-{4-halogeno-4-[aminomethyl]-piperidin-1-yl}-methanone, their method of preparation and their use as medicinal products PIERRE FABRE MEDICAMENT (FR) 2014-03-11 US disclosed
EP-2438050-B1 NOVEL DERIVATIVES OF ARYL-{4-HALOGENO-4-[AMINOMETHYL]-PIPERIDIN-1-YL}-METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS PF MEDICAMENT (FR) 2013-08-07 EP disclosed
US-20120115860-A1 NOVEL DERIVATIVES OF ARYL--METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-05-10 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 (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-20120115860-A1 NOVEL DERIVATIVES OF ARYL--METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS CYP11B1, CYP11B2, CYP3A43 PRKAB2 4616/4885PRKAG1 4570/4885PRKAA2 3682/4885

“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.