SCHEMBL4092990

SCHEMBL4092990

COC(=O)c1cnc(N2CCNCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.55
HRH3 Q9Y5N1 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC2 Q92769 10/20 0.49
HDAC3 O15379 8/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC4 P56524 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
TMPRSS15 P98073 3/20 0.45
SNCA P37840 1/20 0.43

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
SCHEMBL20176409 0.85 HRH3 (0.57) CRBNHRH3HDAC2HDAC3HDAC1
SCHEMBL2146195 0.85 HDAC2 (0.52) CYP1A2CYP2C18CYP2C19KCNH2HDAC2
SCHEMBL5334339 0.85 OGA (0.55) CRBNHRH3CYP1A2CYP2C18CYP2C19
SCHEMBL3159765 0.84 HRH3 (0.54) CRBNHRH3KCNH2HDAC2HDAC3
Hydrochloric Acid SCHEMBL17541458 0.84 OGA (0.54) CRBNCYP1A2CYP2C18CYP2C19KCNH2
SCHEMBL4624452 0.84 HRH3 (0.52) CRBNHRH3CYP1A2CYP2C18CYP2C19
SCHEMBL31474329 0.83 HDAC2 (0.56) CYP1A2CYP2C18CYP2C19KCNH2HDAC2
SCHEMBL16048417 0.82 HDAC3 (0.58) CRBNHRH3HDAC2HDAC3HDAC1
Hydrochloric Acid SCHEMBL29215320 0.82 HDAC2 (0.54) CYP1A2CYP2C18CYP2C19KCNH2HDAC2
SCHEMBL4814736 0.82 HDAC3 (0.73) CRBNHRH3HDAC2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
EP-1902051-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-03-26 EP disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 WO disclosed
CN-1738805-A N- (1-benzyl-2-oxo-2- (1-piperazinyl) ethyl) -1-piperidincarboxamid-derivatives and related compounds use as CGRP-antagonists for treating a headache BOEHRINGER INGELHEIM INT (DE) 2006-02-22 CN disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US disclosed
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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 (6 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 CRBN 1706/4885HRH3 39/4885CYP1A2 331/4885
US-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 CRBN 1952/4885HRH3 313/4885CYP1A2 4492/4885
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 CRBN 4590/4885HRH3 4619/4885CYP1A2 607/4885
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 CRBN 1952/4885HRH3 313/4885CYP1A2 4492/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 CRBN 1952/4885HRH3 313/4885CYP1A2 4492/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 CRBN 1952/4885HRH3 313/4885CYP1A2 4492/4885

“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.