SCHEMBL12313

SCHEMBL12313

Cc1ccc(C(C)N(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
ALOX5 P09917 1/20 0.50
ACHE P22303 7/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
PYCR1 P32322 1/20 0.38
PBK Q96KB5 2/20 0.37
BCHE P06276 4/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA7 P43166 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 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
SCHEMBL18762840 0.89 CHRNA7 (0.43) CHRNA7ALOX5ACHEALDH1A1PYCR1
SCHEMBL16656366 0.81 CHRNA7 (0.52) CHRNA7ALOX5ACHETDP1ALDH1A1
SCHEMBL16656358 0.81 CHRNA7 (0.52) CHRNA7ALOX5ACHETDP1ALDH1A1
SCHEMBL16656372 0.81 CHRNA7 (0.52) CHRNA7ALOX5ACHETDP1ALDH1A1
SCHEMBL11230687 0.81 TYR (0.42) CHRNA7ACHEPYCR1BCHEMEN1
SCHEMBL8291020 0.78 CHRNA7 (0.48) CHRNA7ALOX5ACHEALDH1A1TSHR
SCHEMBL4592098 0.77 PYCR1 (0.37) CHRNA7ALOX5ACHEPYCR1BCHE
SCHEMBL853383 0.77 TDP1 (0.44) CHRNA7ALOX5ACHETDP1ALDH1A1
SCHEMBL2382760 0.77 PYCR1 (0.60) CHRNA7ALOX5ALDH1A1PYCR1MEN1
SCHEMBL8302666 0.77 ALDH1A1 (0.55) TDP1ALDH1A1TSHRMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
WO-2017037595-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-09 WO disclosed
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-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CHRNA7 4623/4885ALOX5 796/4885ACHE 4294/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 CHRNA7 1691/4885ALOX5 1944/4885ACHE 1095/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A CHRNA7 1614/4885ALOX5 2241/4885ACHE 1043/4885

“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.