SCHEMBL6628664

SCHEMBL6628664

NC(=O)C1(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.56
MAOB P27338 11/20 0.50
KDM1A O60341 11/20 0.50
MAOA P21397 10/20 0.50
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 5/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A3 Q01959 2/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL15754675 0.85 CHRM1 (0.59) CHRM1MAOBKDM1AMAOASLC6A4
SCHEMBL7549278 0.85 CHRM1 (0.59) CHRM1MAOBKDM1AMAOASLC6A4
SCHEMBL6259044 0.84 CHRM1 (0.43) CHRM1MAOBKDM1AMAOAMAPK1
SCHEMBL6259049 0.84 CHRM1 (0.43) CHRM1MAOBKDM1AMAOASLC6A4
SCHEMBL12497902 0.79 CHRM1 (0.54) CHRM1MAOBKDM1AMAOASLC6A4
SCHEMBL15548501 0.79 HDAC4 (0.49) CHRM1MAOBKDM1AMAOA
SCHEMBL15754695 0.78 CHRM1 (0.56) CHRM1HTR2C
SCHEMBL15754696 0.78 CHRM1 (0.56) CHRM1HTR2C
SCHEMBL29073129 0.78 CHRM1 (0.51) CHRM1MAOBKDM1AMAOA
SCHEMBL8572147 0.78 MAOB (0.49) MAOBSLC6A4SLC6A2MAPK1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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 (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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CHRM1 4824/4885MAOB 362/4885KDM1A 36/4885

“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.