SCHEMBL12372688

SCHEMBL12372688

CC(C)(C)c1ccccc1C(=O)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL13899448 0.85 HTT (0.56) GAASMN1; SMN2TSHRKMT2AHPGD
SCHEMBL12187440 0.83 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2NPSR1HSP90AA1
SCHEMBL7121916 0.83 SMN1; SMN2 (0.77) ALDH1A1GAASMN1; SMN2NPSR1TSHR
SCHEMBL14803568 0.83 L3MBTL1 (0.60) ALDH1A1TSHRTP53KMT2AHPGD
SCHEMBL12305558 0.79 HSD11B1 (0.49) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10013747 0.79 HTT (0.72) ALDH1A1GAASMN1; SMN2NPSR1PKM
SCHEMBL14803634 0.78 KMT2A (0.66) ALDH1A1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL20826987 0.78 RAB9A (0.65) ALDH1A1GAATSHRKMT2A
SCHEMBL3758627 0.78 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2NPSR1TSHR
SCHEMBL29956307 0.78 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2NPSR1TSHR

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-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
US-7994325-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK SHARP & DOHME CORP. (US) 2011-08-09 US disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (4 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-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH ALDH1A1 1525/4885GAA 2306/4885SMN1; SMN2 1756/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 ALDH1A1 88/4885GAA 1467/4885SMN1; SMN2 1132/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A ALDH1A1 97/4885GAA 1631/4885SMN1; SMN2 1192/4885
US-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R ALDH1A1 3218/4885GAA 1795/4885SMN1; SMN2 4462/4885

“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.