SCHEMBL1852499

SCHEMBL1852499

CN1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.50
HRH4 Q9H3N8 2/20 0.50
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PANK3 Q9H999 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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 SCHEMBL27686792 0.98 HTR3A (0.49) HTR3AHRH4USP2ALDH1A1CYP1A2
SCHEMBL23048205 0.93 HRH4 (0.45) HTR3AHRH4USP2ALDH1A1CYP1A2
SCHEMBL11359955 0.81 MAPT (0.53) USP2ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL81909 0.81 HRH4 (0.51) HTR3AHRH4USP2ALDH1A1CYP1A2
SCHEMBL1433020 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EPANK3MAPTTSHR
SCHEMBL3323407 0.80 KDM4E (0.43) USP2ALDH1A1KDM4EPANK3MAPT
SCHEMBL8275473 0.79 SIGMAR1 (0.50) HTR3AHRH4CYP1A2KDM4EKMT2A
SCHEMBL15038306 0.79 HDAC3 (0.51) HTR3AHRH4USP2ALDH1A1CYP1A2
SCHEMBL3566311 0.79 HRH4 (0.50) HTR3AHRH4USP2ALDH1A1CYP1A2
SCHEMBL15722232 0.79 HRH4 (0.50) HTR3AHRH4USP2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
CN-119019387-A 3-Substituted-1-H-indole pyrazole derivative compound, and preparation method and application thereof 贵州大学 2024-11-26 CN disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
CN-116768883-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-09-19 CN disclosed
US-20230271971-A1 CRYSTALLINE FORMS OF (S)-1-(4-FLUOROPHENYL)-1-(2-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)PIPERAZINYL)-PYRIMIDIN-5-YL)ETHAN-1-AMINE AND METHODS OF MAKING BLUEPRINT MEDICINES CORPORATION 2023-08-31 US disclosed
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 CN disclosed
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
EP-3786156-A1 10H-PHENOTHIAZINE FERROPTOSIS INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Chengdu Henghao Investment Co. Limited (CN) 2021-03-03 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 WO disclosed
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
EP-0544705-A1 DERIVATIVES OF MUPIROCIN Beecham Group p.l.c. (GB) 1993-06-09 EP disclosed
WO-1992002518-A1 DERIVATIVES OF MUPIROCIN BEECHAM GROUP PLC (GB) 1992-02-20 WO 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 (5 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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 HTR3A 3863/4885HRH4 680/4885USP2 2715/4885
US-20230271971-A1 CRYSTALLINE FORMS OF (S)-1-(4-FLUOROPHENYL)-1-(2-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)PIPERAZINYL)-PYRIMIDIN-5-YL)ETHAN-1-AMINE AND METHODS OF MAKING PDGFRA, KIT, PDGFRB HTR3A 318/4885HRH4 2227/4885USP2 3805/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HTR3A 81/4885HRH4 1326/4885USP2 3620/4885
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 HTR3A 1331/4885HRH4 48/4885USP2 3481/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 HTR3A 831/4885HRH4 355/4885USP2 3848/4885

“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.