SCHEMBL2239944

SCHEMBL2239944

NCCc1cccc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.59
TAAR1 Q96RJ0 4/20 0.59
MPO P05164 3/20 0.59
HTR2C P28335 2/20 0.59
HTR6 P50406 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR7 P34969 1/20 0.59
CTSK P43235 1/20 0.59
CYP2A13 Q16696 1/20 0.59
PMP22 Q01453 1/20 0.58
AHR P35869 1/20 0.47
DAO P14920 1/20 0.44
SLC6A4 P31645 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41

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
SCHEMBL30776660 1.00 HTR2A (0.59) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL28264220 0.89 MPO (0.47) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL8655960 0.87 MPO (0.46) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL2245672 0.84 AHR (0.50) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL29364833 0.84 AHR (0.50) HTR2ATAAR1MPOHTR2CHTR6
Hydrochloric Acid SCHEMBL3869136 0.82 AHR (0.48) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL29443976 0.81 AHR (0.47) HTR2AHTR2CHTR6CYP3A4HTR1B
SCHEMBL6536568 0.81 AHR (0.47) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL31663380 0.81 AHR (0.47) HTR2ATAAR1MPOHTR2CHTR6
SCHEMBL28787727 0.81 AHR (0.52) HTR2ATAAR1MPOHTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108993496-B Preparation method of ropinirole intermediate for treating dyskinesia 山东第一医科大学(山东省医学科学院) 2021-01-15 CN claimed
CN-117586233-A Preparation and application of N- [ (1H-indol-4-yl) alkyl ] benzamide compound 沈阳药科大学 2024-02-23 CN disclosed
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-03-30 US disclosed
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
US-11261201-B2 TRNA synthetase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-03-01 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 US disclosed
CN-108993496-B Preparation method of ropinirole intermediate for treating dyskinesia 山东第一医科大学(山东省医学科学院) 2021-01-15 CN disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP disclosed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO disclosed
US-7230118-B2 Process for the preparation of ropinirole URQUIMA S.A. (ES) 2007-06-12 US disclosed
US-7230118-B2 Process for the preparation of ropinirole URQUIMA S.A. (ES) 2007-06-12 US disclosed
US-20070032540-A1 Process for the preparation of ropinirole URGUIMA S.A. (ES) 2007-02-08 US disclosed
US-20070032540-A1 Process for the preparation of ropinirole URGUIMA S.A. (ES) 2007-02-08 US disclosed
EP-0164633-A2 Indole derivatives MERCK PATENT GmbH (DE) 1985-12-18 EP disclosed
US-4378368-A Use of 4-(2-di-n-propylaminoethyl)indole or a salt thereof as a presynaptic dopamine autoreceptor stimulant PURDUE RESEARCH FOUNDATION (US) 1983-03-29 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 (6 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 HTR2A 3576/4885TAAR1 2359/4885MPO 1383/4885
US-20070032540-A1 Process for the preparation of ropinirole PRLHR, COMT, DRD4 HTR2A 130/4885TAAR1 250/4885MPO 578/4885
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 HTR2A 3576/4885TAAR1 2359/4885MPO 1383/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 HTR2A 439/4885TAAR1 734/4885MPO 4592/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 HTR2A 439/4885TAAR1 734/4885MPO 4592/4885
US-11261201-B2 TRNA synthetase inhibitors TRMT1, AARS1, GARS1 HTR2A 3576/4885TAAR1 2359/4885MPO 1383/4885

“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.