SCHEMBL2207645

SCHEMBL2207645

COc1ccccc1CN1CC[N]CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP2D6 P10635 4/20 0.57
GNAI3 P08754 1/20 0.57
USP2 O75604 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
TSHR P16473 2/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2B P41595 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL13284339 0.84 MEN1 (0.79) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL3161038 0.83 MEN1 (0.82) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL12856249 0.83 MEN1 (0.72) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL7510093 0.81 HTR1A (0.57) KDM4EALDH1A1HTTL3MBTL1TSHR
SCHEMBL20381978 0.81 KMT2A (0.62) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL13559793 0.81 SIGMAR1 (0.65) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL6483885 0.81 MAPK1 (0.48) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL27882880 0.80 KDM4E (0.60) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL591547 0.80 CYP2D6 (0.74) MEN1KMT2ACYP2D6GNAI3USP2
SCHEMBL14514792 0.80 CYP2A13 (0.63) MEN1KMT2ACYP2D6GNAI3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
US-4219551-A HYPOTENSIVE, CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1980-08-26 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 (2 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MEN1 4550/4885KMT2A 2733/4885CYP2D6 603/4885
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 MEN1 4272/4885KMT2A 84/4885CYP2D6 1992/4885

“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.