SCHEMBL302485

SCHEMBL302485

NN1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
MAOB P27338 2/20 0.58
TMPRSS2 O15393 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
SLC6A2 P23975 1/20 0.52
NOTUM Q6P988 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PHGDH O43175 1/20 0.46
MGLL Q99685 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
EED O75530 1/20 0.46

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
SCHEMBL29603392 1.00 MAOA (0.58) MAOAMAOBTMPRSS2HTR1AADRA2A
Hydrochloric Acid SCHEMBL27492216 0.98 MAOA (0.59) MAOAMAOBTMPRSS2HTR1AADRA2A
Hydrochloric Acid SCHEMBL7551216 0.98 MAOA (0.59) MAOAMAOBTMPRSS2HTR1AADRA2A
SCHEMBL4794961 0.87 MAOA (0.52) MAOAMAOBTMPRSS2HTR1AADRA2A
Acetic Acid SCHEMBL1666949 0.87 NOTUM (0.59) MAOAMAOBTMPRSS2HTR1AADRA2A
SCHEMBL21020930 0.86 TSHR (0.50) MAOAMAOBTMPRSS2HTR1AADRA2A
SCHEMBL6261159 0.82 MAOA (0.44) MAOAMAOBTMPRSS2HTR1AADRA2A
Hydrochloric Acid SCHEMBL11434377 0.79 MAOA (0.46) MAOAMAOBTMPRSS2HTR1AADRA2A
SCHEMBL28743871 0.78 MEN1 (0.48) HTR1AMEN1KMT2AMAPTLMNA
SCHEMBL29390912 0.73 MAOA (1.00) MAOAMAOBHTR1AADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744476-B IMIDAZOPYRAZINE Syk INHIBITORS 吉利德康涅狄格公司 2017-04-12 CN claimed
EP-2793890-A1 SUBSTITUTED PIPERIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-10-29 EP claimed
WO-2014160177-A2 QUINAZOLINE INHIBITORS OF PI3K EXELIXIS, INC. (US) 2014-10-02 WO claimed
WO-2013096150-A1 SUBSTITUTED PIPERIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO claimed
CN-102459264-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN claimed
JP-2012500853-A 2012-01-12 JP claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-0324184-B1 2-Amino-1,2,3,4-tetrahydroisoquinoline derivatives, method for their preparation and their use as medicines CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-09-28 EP claimed
CN-1022917-C Process for preparing 2-amino-tetrahydro-isoquinoline derivatives CHINOIN GYOGYSZER ES VEGYESZET (HU) 1993-12-01 CN claimed
WO-1992000981-A1 NOVEL 3-SUBSTITUTED CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF DAE WOONG PHARMACEUTICAL CO., LTD. (KR) 1992-01-23 WO claimed
CN-1035502-A Derivative and preparation method thereof, and the pharmaceutical preparation 2-amino-tetrahydrochysene-different quinoline woods that contains this derivative CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-09-13 CN claimed
JP-1213266-A None JP disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
EP-0112511-A2 New compounds, pharmaceutical preparations containing same and process for their preparation RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-07-04 EP disclosed
US-4221798-A Hypotensive 2-heterocycloamino-imidazolines BEIERSDORF AKTIENGESELLSCHAFT (DE) 1980-09-09 US disclosed
US-3846412-A DIHYDRO-2-AMINO-ISOQUINOLINES AND THEIR DERIVATIVES LEPETIT SPA 1974-11-05 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL MAOA 2401/4885MAOB 2125/4885TMPRSS2 3947/4885

“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.