SCHEMBL2362041

SCHEMBL2362041

O=C1CCCc2cc(OC(F)(F)F)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.58
CES1 P23141 1/20 0.52
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
PKM P14618 3/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL688889 0.83 CES1 (0.56) KIF11CES1MAOB
SCHEMBL28956489 0.82 KIF11 (0.73) KIF11CES1MAPTSMN1; SMN2MAOA
SCHEMBL30122307 0.82 KIF11 (0.73) KIF11CES1MAPTSMN1; SMN2MAOA
SCHEMBL17260111 0.82 CES1 (0.46) KIF11CES1MAPTSMN1; SMN2
SCHEMBL3186685 0.80 PDE3B (0.56) MAPTMAOAMAOBPKM
SCHEMBL3310995 0.80 KIF11 (0.70) KIF11CES1MAPTSMN1; SMN2MAOA
SCHEMBL17785603 0.79 KIF11 (0.57) KIF11MAOAMAOB
SCHEMBL7376776 0.78 CES1 (0.51) KIF11CES1MAPTSMN1; SMN2MAOA
SCHEMBL6585388 0.77 MAOB (0.60) MAPTSMN1; SMN2MAOAMAOB
SCHEMBL9024780 0.77 KIF11 (0.67) KIF11MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143014-B1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2018-10-24 EP disclosed
US-9931319-B2 Carboxamide derivatives NOVARTIS AG (CH) 2018-04-03 US disclosed
EP-3143014-A1 CARBOXAMIDE DERIVATIVES Novartis AG (CH) 2017-03-22 EP disclosed
US-20170000770-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2017-01-05 US disclosed
US-9403833-B2 Carboxamide derivatives NOVARTIS AG (CH) 2016-08-02 US disclosed
WO-2015177646-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-11-26 WO disclosed
US-20150329549-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-11-19 US disclosed
US-20110212891-A1 AZEPINONE DERIVATIVES MSD K.K. 2011-09-01 US disclosed
EP-2358735-A1 AZEPINONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010056496-A1 AZEPINONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-05-20 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 (3 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-20170000770-A1 CARBOXAMIDE DERIVATIVES SIRT5, SIRT7, ADCY5 KIF11 3651/4885CES1 208/4885MAPT 2753/4885
US-20110212891-A1 AZEPINONE DERIVATIVES AZI2, NDUFS3, RPS4Y1 KIF11 3744/4885CES1 3389/4885MAPT 4687/4885
US-20150329549-A1 CARBOXAMIDE DERIVATIVES CNR2, SIRT7, SLC5A2 KIF11 3450/4885CES1 363/4885MAPT 1655/4885

“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.