SCHEMBL2907330

SCHEMBL2907330

CCc1ccccc1CCN

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.60
HTR2A P28223 3/20 0.56
HRH1 P35367 1/20 0.45
CYP2A6 P11509 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
BACE1 P56817 1/20 0.44
HMGB1 P09429 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 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
SCHEMBL224549 0.87 TAAR1 (0.70) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL7321875 0.86 TAAR1 (0.45) TAAR1HTR2AGABRA1GABRB2
SCHEMBL3057797 0.85 TAAR1 (0.60) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL6546730 0.84 GABRA1 (0.50) TAAR1GABRA1GABRB2
Ethylamine SCHEMBL28337086 0.84 GABRA1 (0.50) TAAR1GABRA1GABRB2
Hydrochloric Acid SCHEMBL14157333 0.83 TAAR1 (0.58) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL3067170 0.81 TAAR1 (0.56) TAAR1HTR2AHRH1
Methylamine SCHEMBL27540110 0.81 GABRA1 (0.52) TAAR1GABRA1GABRB2
SCHEMBL25425763 0.81 GABRA1 (0.58) GABRA1GABRB2
SCHEMBL36294 0.81 GABRA1 (0.58) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-20210069188-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2021-03-11 US disclosed
EP-3130596-B1 GLUCOSE DERIVATIVE, AND CELL IMAGING METHOD AND IMAGING AGENT USING SAID DERIVATIVE UNIV HIROSAKI (JP) 2021-01-20 EP disclosed
EP-3130596-A1 NOVEL GLUCOSE DERIVATIVE, AND CELL IMAGING METHOD AND IMAGING AGENT USING SAID DERIVATIVE Hirosaki University (JP) 2017-02-15 EP disclosed
US-9320786-B2 Plasmodial surface anion channel inhibitors for the treatment or prevention of malaria THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-04-26 US disclosed
US-20140079736-A1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-03-20 US disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
US-6916806-B2 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2005-07-12 US disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 TAAR1 173/4885HTR2A 206/4885HRH1 8/4885
US-20140079736-A1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA CLIC1, SLC47A2, SLC47A1 TAAR1 3118/4885HTR2A 3741/4885HRH1 1413/4885
US-20210069188-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN2, PTPN5, PTPRJ TAAR1 4128/4885HTR2A 2235/4885HRH1 3856/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 TAAR1 1120/4885HTR2A 3742/4885HRH1 2644/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885HTR2A 8/4885HRH1 208/4885

“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.