SCHEMBL3789686

SCHEMBL3789686

CCC(=O)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
BLM P54132 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FAAH O00519 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
HPGD P15428 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA7 P36544 2/20 0.41
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8264016 0.86
SCHEMBL15158364 0.86 BLM (0.44) EPHX2BLMALDH1A1CHRNB2CHRNA3
SCHEMBL12224197 0.82 L3MBTL1 (0.48) EPHX2ALDH1A1FAAHPHGDHMGLL
SCHEMBL2739418 0.82 BLM (0.57) EPHX2BLMALDH1A1CHRNB2CHRNA3
SCHEMBL20756575 0.82 BLM (0.57) EPHX2BLMALDH1A1CHRNB2CHRNA3
SCHEMBL180620 0.82
SCHEMBL18909246 0.81 EPHX2 (0.47) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL20221172 0.79 L3MBTL1 (0.60) MEN1KMT2A
SCHEMBL13187893 0.78 FAAH (0.44) ALDH1A1FAAHPHGDHMGLLHPGD
SCHEMBL805446 0.77

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO claimed
CN-118772116-A 2, 4-Diaryl aminopyrimidine compound and preparation method and application thereof 南通常佑药业科技有限公司 2024-10-15 CN disclosed
WO-2024108198-A2 METHODS OF TREATING OBESITY WITH AN MC4R AGONIST RHYTHM PHARMACEUTICALS, INC. (US) 2024-05-23 WO disclosed
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
EP-3201277-B1 DIGITAL FABRICATION OF METALLIC ARTICLES AGFA GEVAERT (BE) 2019-02-20 EP disclosed
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
EP-2964617-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-7326709-B2 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION (US) 2008-02-05 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 US disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed
US-4105763-A 1-Methyl-2-(phenyl-oxymethyl)-5-nitro-imidazoles HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4078086-A Anthraquinone-bis-amidines and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-07 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 (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-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 EPHX2 1611/4885BLM 4537/4885ALDH1A1 753/4885

“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.