SCHEMBL507195

SCHEMBL507195

NC[C@H](N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.62
HTR2A P28223 2/20 0.62
DPP4 P27487 2/20 0.52
F2 P00734 1/20 0.52
SCN4A P35499 2/20 0.52
HRH1 P35367 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50

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
SCHEMBL1952916 1.00 TAAR1 (0.62) TAAR1HTR2ADPP4F2SCN4A
SCHEMBL507194 1.00 TAAR1 (0.62) TAAR1HTR2ADPP4F2SCN4A
Hydrochloric Acid SCHEMBL18547879 0.97 TAAR1 (0.59) TAAR1HTR2ADPP4F2SCN4A
Hydrochloric Acid SCHEMBL28583636 0.97 TAAR1 (0.59) TAAR1HTR2ADPP4F2SCN4A
Hydrochloric Acid SCHEMBL6694632 0.97 TAAR1 (0.59) TAAR1HTR2ADPP4F2SCN4A
Hydrochloric Acid SCHEMBL4696174 0.97 TAAR1 (0.59) TAAR1HTR2ADPP4F2SCN4A
SCHEMBL15558709 0.89 TAAR1 (0.50) TAAR1HTR2ADPP4F2SCN4A
SCHEMBL6742097 0.89 TAAR1 (0.50) TAAR1HTR2ADPP4F2SCN4A
Toluene SCHEMBL28855142 0.89 TAAR1 (0.50) TAAR1HTR2ASCN4A
Acetic Acid SCHEMBL2393284 0.87 GABBR2 (0.50) TAAR1HTR2ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679588-B1 ASYMMETRIC SYNTHESIS METHOD, RELATED RAW MATERIAL AND PREPARATION METHOD OF (S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE SHANGHAI PUYI CHEMICAL TECHNOLOGY CO LTD (CN) 2015-07-08 EP claimed
US-20140066626-A1 ASYMMETRIC SYNTHESIS METHOD, RELATED RAW MATERIAL AND PREPARATION METHOD OF (S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE Shanghai Puyi Chemical Technology Co. Ltd (CN) 2014-03-06 US claimed
US-20220370453-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BCDIN3D ACTIVITY STORM THERAPEUTICS LIMITED (GB) 2022-11-24 US disclosed
CN-111748000-B 3-deoxy-5-hydroxy-1-amino carbo-carbohydrate compounds and uses thereof 沈阳药科大学 2022-05-20 CN disclosed
EP-3986568-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OFBCDIN3D ACTIVITY Storm Therapeutics Ltd (GB) 2022-04-27 EP disclosed
CN-114286711-A Bicyclic heterocyclic compounds as inhibitors of BCDIN3D activity 风暴治疗有限公司 2022-04-05 CN disclosed
US-20220033397-A1 PHARMACEUTICAL COMPOUNDS AND THEIR USE AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LTD (GB) 2022-02-03 US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN disclosed
CN-111748000-A 3-deoxy-5-hydroxy-1-amino carbo-carbohydrate compounds and uses thereof 沈阳药科大学 2020-10-09 CN disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
EP-0741731-A1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST SMITHKLINE BEECHAM PLC (GB) 1996-11-13 EP disclosed
WO-1995021172-A1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST SMITHKLINE BEECHAM P.L.C. (GB) 1995-08-10 WO disclosed
EP-0384364-B1 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1994-01-19 EP disclosed
EP-0431991-B1 1,8-Benzonaphthyridine derivatives, their preparation and compositions containing them BELLON LABOR SA ROGER (FR) 1994-01-12 EP disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 US disclosed
EP-0431991-A1 1,8-Benzonaphthyridine derivatives, their preparation and compositions containing them Société anonyme dite: LABORATOIRE ROGER BELLON (FR) 1991-06-12 EP disclosed
US-5009815-A Composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-04-23 US disclosed
EP-0384364-A2 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-08-29 EP disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 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 (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-20220033397-A1 PHARMACEUTICAL COMPOUNDS AND THEIR USE AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) USP19, USP16, USP18 TAAR1 4648/4885HTR2A 4195/4885DPP4 51/4885
US-20140066626-A1 ASYMMETRIC SYNTHESIS METHOD, RELATED RAW MATERIAL AND PREPARATION METHOD OF (S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE SULT1E1, SULT1A1, PYM1 TAAR1 2462/4885HTR2A 3524/4885DPP4 1776/4885
US-20220370453-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BCDIN3D ACTIVITY BCDIN3D, CDK3, CCNI TAAR1 4761/4885HTR2A 3974/4885DPP4 1204/4885

“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.