SCHEMBL2073080

SCHEMBL2073080

Cc1[c][nH]c2cccc(CN(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
HTR2C P28335 5/20 0.43
HTR2B P41595 4/20 0.43
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.37
SLC6A4 P31645 9/20 0.34
SLC6A2 P23975 8/20 0.33
LMNA P02545 2/20 0.33
NPY1R P25929 1/20 0.33
MAPK1 P28482 1/20 0.33
NPY2R P49146 1/20 0.33
HTR1A P08908 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
SCHEMBL2073808 0.81 GABRA1 (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2070797 0.74 KDM4E (0.45) TSHRALDH1A1KDM4EMAPTLMNA
SCHEMBL1850720 0.72 GPR84 (0.41) HTR2ATSHRALDH1A1MEN1KMT2A
SCHEMBL1460646 0.70 GPR84 (0.58) HTR2AHTR2CHTR2BCYP3A4TSHR
SCHEMBL2073636 0.69 FFAR1 (0.39) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL4694663 0.69 GAA (0.39) ALDH1A1SLC6A4
SCHEMBL2074196 0.69 IMPDH2 (0.41) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL28660496 0.68 ALDH1A1 (0.49) HTR2AHTR2CHTR2BCYP3A4TSHR
SCHEMBL14468315 0.67 SLC6A4 (0.46) HTR2ACYP3A4TSHRALDH1A1KDM4E
SCHEMBL2070937 0.67 KIF11 (0.40) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 1589/4885HTR2C 1104/4885HTR2B 673/4885

“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.