SCHEMBL2685113

SCHEMBL2685113

N#Cc1cccc2c1OC(CN)CN2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
GRM2 Q14416 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
SCHEMBL3209927 0.80 HTR1A (0.35)
SCHEMBL3218181 0.80 HTR1A (0.35)
SCHEMBL3195075 0.80 HTR1A (0.35)
SCHEMBL2687113 0.79 BRD4 (0.43) CREBBPBRD4
SCHEMBL2686648 0.79 PRKAB2 (0.39)
SCHEMBL2684325 0.78 CA2 (0.39) MEN1KMT2A
SCHEMBL3213892 0.76 PRKAB2 (0.31) MEN1KMT2A
SCHEMBL3211902 0.76 PRKAB2 (0.31) MEN1KMT2A
SCHEMBL3218195 0.76 PRKAB2 (0.31) MEN1KMT2A
SCHEMBL3218165 0.74 PRKAB2 (0.34) CREBBPBRD4

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 CREBBP 2187/4885BRD4 1520/4885MEN1 298/4885

“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.