SCHEMBL3863804

SCHEMBL3863804

Cc1ccccc1CCCN

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.75
CHRM2 P08172 1/20 0.42
HTR2A P28223 2/20 0.42
MAOA P21397 1/20 0.41
DAO P14920 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL30505310 1.00 TAAR1 (0.75) TAAR1CHRM2HTR2AMAOADAO
Hydrochloric Acid SCHEMBL1026697 0.98 TAAR1 (0.72) TAAR1CHRM2HTR2AMAOADAO
SCHEMBL8324343 0.93 TAAR1 (0.72) TAAR1CHRM2HTR2AMAOA
SCHEMBL8501182 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA
SCHEMBL8501742 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA
SCHEMBL4867220 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA
SCHEMBL8498869 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA
SCHEMBL8502207 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA
SCHEMBL8501094 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA
SCHEMBL8500978 0.91 TAAR1 (0.69) TAAR1CHRM2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115988890-A Full-waveband/dual-waveband/single-waveband organic optical detector suitable for optical communication system 华南理工大学 2023-04-18 CN disclosed
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
CN-108697759-A modulators of complement activity RA制药公司 2018-10-23 CN disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP disclosed
CN-107405339-A Organic compound 细胞内治疗公司 2017-11-28 CN disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
EP-2882452-B1 METHOD FOR LOWERING THE VISCOSITY OF HIGH-CONCENTRATION PROTEIN SOLUTIONS ADOCIA (FR) 2017-04-26 EP disclosed
CN-103781456-B Based on the dental materialss with the monomer of unsticking characteristic on demand 义获嘉伟瓦登特公司 2017-03-29 CN disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
WO-1999032448-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 1999-07-01 WO disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
US-4642011-A ORGANIC SILICON COMPOUND HAVING AMINOALKYL GROUP AND ALKOXY GROUP, AND OXIRANE COMPOUND Toacosei Chemical Industry Co., Ltd. (JP) 1987-02-10 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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 TAAR1 150/4885CHRM2 187/4885HTR2A 1235/4885

“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.