SCHEMBL992203

SCHEMBL992203

CN(C)CCCCCN=C=N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
DNM1 Q05193 3/20 0.42
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH2 P25021 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
NAAA Q02083 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
Hydrochloric Acid SCHEMBL839371 0.98 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP2D6DNM1
SCHEMBL3095991 0.98 CYP1A2 (0.48) ALDH1A1TSHRCYP1A2CYP2D6DNM1
Hydrochloric Acid SCHEMBL28506360 0.95 CYP1A2 (0.47) ALDH1A1TSHRCYP1A2CYP2D6DNM1
SCHEMBL301678 0.91
Hydrochloric Acid SCHEMBL248532 0.88 CYP1A2 (0.54) ALDH1A1TSHRCYP1A2CYP2D6DNM1
Carbimide SCHEMBL8927383 0.88 CYP1A2 (0.54) ALDH1A1TSHRCYP1A2CYP2D6DNM1
Ethane SCHEMBL8026831 0.88 CYP1A2 (0.54) ALDH1A1TSHRCYP1A2CYP2D6DNM1
Ethane SCHEMBL2545448 0.86 CYP1A2 (0.52) ALDH1A1TSHRCYP1A2CYP2D6DNM1
Iodomethane SCHEMBL7521844 0.86 CYP1A2 (0.52) ALDH1A1TSHRCYP1A2CYP2D6DNM1
Hydrochloric Acid SCHEMBL28296907 0.86 CYP1A2 (0.52) ALDH1A1TSHRCYP1A2CYP2D6DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552107-A Heteroaromatic amide CYP1B1 enzyme inhibitor, and preparation method and application thereof 沈阳药科大学 2025-03-04 CN claimed
EP-0264797-A2 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1988-04-27 EP claimed
WO-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 WO disclosed
CN-108078982-B Use of proline derivatives in preparation of β -lactamase inhibitor 天津大学 2020-02-07 CN disclosed
EP-2908856-B1 IMMUNOGENIC COMPOSITION GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2019-02-20 EP disclosed
US-20180193336-A1 SPRAY DRY FORMULATIONS PULMOKINE, INC. 2018-07-12 US disclosed
CN-103649053-B Aminomethyl quinolone compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
CN-105307498-A Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC 2016-02-03 CN disclosed
EP-2908856-A1 IMMUNOGENIC COMPOSITION GlaxoSmithKline Biologicals S.A. (BE) 2015-08-26 EP disclosed
EP-2695877-B1 Multi-functional monomer having a photocreative group, alignment film for LCD using the monomer, and LCD comprising the alignment film LG CHEMICAL LTD (KR) 2015-04-15 EP disclosed
EP-2504338-B1 PYRIDINE-PYRIDINONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-03-18 EP disclosed
CN-1227564-A Novel aromatic compounds substituted by ribose, preparation method and application as medicine thereof HOECHST MARION ROUSSEL INC (FR) 1999-09-01 CN disclosed
EP-0830371-A1 IMIDAZO 1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-03-25 EP disclosed
US-5648124-A Process for preparing magnetically responsive microparticles SERADYN, INC. (US) 1997-07-15 US disclosed
WO-1996038470-A1 IMIDAZO[1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1996-12-05 WO disclosed
US-5532132-A Method for regulating formation of a complex of plasminogen activator, its receptor and inhibitor PRESIDENT AND FELLOWS OF HARVARD UNIVERSITY (US) 1996-07-02 US disclosed
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US disclosed
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-H1018-H Immunological method for the determination of free substances having hapten properties HENNING BERLIN GMBH CHEMIE- UND PHARMAWERK (DE) 1992-01-07 US disclosed
EP-0031722-B1 WATER SOLUBLE GUANIDINE DERIVATIVES OF POLYENE MACROLIDES AND THE ESTERS THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM A/S Dumex (Dumex Ltd.) (DK) 1984-03-28 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 (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-20180193336-A1 SPRAY DRY FORMULATIONS TEK, FLT1, KDR ALDH1A1 3640/4885TSHR 586/4885CYP1A2 4120/4885

“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.