SCHEMBL853114

SCHEMBL853114

NC1C2CCCC1CCC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 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
SCHEMBL21049142 0.96
SCHEMBL5070790 0.88 ALDH1A1 (0.50) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL12293155 0.85
SCHEMBL1710234 0.82
SCHEMBL13260290 0.77 MEN1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL12367807 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3295638 0.77 CCR5 (0.44) ALDH1A1
SCHEMBL22990165 0.75 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL3482522 0.73 MEN1 (0.36) THRBMEN1KMT2A
SCHEMBL18075 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712131-B1 NEUROTENSIN RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-02-01 EP claimed
US-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-03-09 US disclosed
EP-3988547-A1 INDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2022-04-27 EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
EP-0970957-B1 Diaza-spiro[3,5] nonane derivatives HOFFMANN LA ROCHE (CH) 2001-08-16 EP disclosed
US-6113527-A 3,3-BIS-HYDROXYMETHYL-7-(CIS-4-ISOPROPYL-CYCLOHEXYL)-1-PHENYL -1,7-DIAZA-SPIRO-(3.5)NONANE-2-ONE, FOR EXAMPLE; AGONISTS OF THE ORPHANIN FQ (OFQ) RECEPTOR; USEFUL IN THE TREATMENT OF PSYCHIATRIC, NEUROLOGICAL AND PHYSIOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0970957-A1 Diaza-spiro[3,5] nonane derivatives F. HOFFMANN-LA ROCHE AG (CH) 2000-01-12 EP disclosed
US-5998427-A REDUCTASE INHIBITOR GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
US-5977126-A ANTIANGROGENS, ENZYME INHBITORS GLAXO WELLCOME INC. (US) 1999-11-02 US disclosed
US-5624941-A Pyrazole derivatives, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1997-04-29 US disclosed
EP-0576357-B1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-03-05 EP disclosed
EP-0719277-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1996-07-03 EP disclosed
WO-1995007926-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1995-03-23 WO disclosed
EP-0576357-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP 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 (3 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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 ALDH1A1 889/4885THRB 4467/4885MEN1 4214/4885
US-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF GRM4, GRM5, GRIA4 ALDH1A1 3425/4885THRB 429/4885MEN1 1940/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 ALDH1A1 889/4885THRB 4467/4885MEN1 4214/4885

“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.