SCHEMBL11930003

SCHEMBL11930003

CC1(c2ccccc2)CC(=O)N(C(C)(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 5/20 0.42
BACE1 P56817 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
GRM4 Q14833 1/20 0.37

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
Methsuximide SCHEMBL34852 0.77 CYP19A1 (0.70) CYP19A1ALDH1A1BACE1GRIN1GRIN2A
Methsuximide SCHEMBL34853 0.77 CYP19A1 (0.70) CYP19A1ALDH1A1BACE1GRIN1GRIN2A
SCHEMBL29116647 0.76 CYP19A1 (0.50) CYP19A1ALDH1A1BACE1MEN1KMT2A
SCHEMBL20034768 0.74 AR (0.35)
SCHEMBL13684394 0.73 CYP19A1 (0.44) CYP19A1ALDH1A1BACE1MEN1KMT2A
SCHEMBL14037658 0.73 CYP19A1 (0.47) CYP19A1BACE1CHRM2GRM2CYP2C19
SCHEMBL5347947 0.72 CYP19A1 (0.40) CYP19A1ALDH1A1BACE1MEN1KMT2A
SCHEMBL24126788 0.71 ELANE (0.56) MEN1KMT2AGRM2CYP2C19NPSR1
SCHEMBL5334247 0.70 ALDH1A1 (0.51) CYP19A1ALDH1A1KMT2AMMP2MMP9
SCHEMBL8293499 0.70 CYP19A1 (0.41) CYP19A1ALDH1A1BACE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 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 (5 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP19A1 199/4885ALDH1A1 135/4885BACE1 1828/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A CYP19A1 244/4885ALDH1A1 153/4885BACE1 2524/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CYP19A1 199/4885ALDH1A1 135/4885BACE1 1828/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP19A1 199/4885ALDH1A1 135/4885BACE1 1828/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP19A1 199/4885ALDH1A1 135/4885BACE1 1828/4885

“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.