SCHEMBL2073808

SCHEMBL2073808

CCc1cccc2[nH][c]c(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ELANE P08246 2/20 0.36
DAO P14920 2/20 0.36
DDO Q99489 1/20 0.36
PLA2G2A P14555 1/20 0.35
PDK2 Q15119 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
NPEPPS P55786 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL2073080 0.81 HTR2A (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1850720 0.76 GPR84 (0.41) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL2075074 0.74 GRK6 (0.46) MAPTMEN1KMT2APOLBDAO
SCHEMBL2074196 0.73 IMPDH2 (0.41) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL6009050 0.71 MAPT (0.54) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL2070937 0.70 KIF11 (0.40) GABRA1GABRB2ALDH1A1
SCHEMBL2072979 0.70 ABCG2 (0.42) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL9004442 0.68 GPR84 (0.59) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL6007824 0.68 MEN1 (0.48) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL2967299 0.68 DAO (0.33) ELANEDAOPLA2G2A

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
EP-3074385-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF PSYCHIATRIC AND NEUROLOGICAL CONDITIONS Takeda Pharmaceutical Company Limited (JP) 2016-10-05 EP disclosed
WO-2015079224-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF PSYCHIATRIC AND NEUROLOGICAL CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2015-06-04 WO disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 GABRA1 2328/4885GABRB2 2237/4885MAPT 32/4885

“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.