SCHEMBL4546559

SCHEMBL4546559

O=C(O)c1c(Cl)cc2c(c1Cl)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.46
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
TSHR P16473 2/20 0.35
SLC6A1 P30531 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRB3 P28472 1/20 0.35

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 SCHEMBL20703506 0.98 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Lithium SCHEMBL30831167 0.98 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL30864391 0.98 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL21413286 0.88 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL28978402 0.86 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL15445349 0.86 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL27044246 0.85 PNMT (0.39) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL10129638 0.82 PNMT (0.42) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL23422078 0.81 PNMT (0.41) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL13894060 0.81 EGLN1 (0.42) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546127-B Litasai Special synthetic method 成都天兴致远生物科技有限公司 2024-09-20 CN claimed
CN-118546127-A Litasai Special synthetic method 成都天兴致远生物科技有限公司 2024-08-27 CN claimed
CN-115557939-A Method for preparing high-purity sitaxetil 广东和博制药有限公司 2023-01-03 CN claimed
WO-2019043724-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2-(BENZOFURAN-6-CARBONYL)-5,7-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXAMIDO)-3-(3-(METHYLSULFONYL)PHENYL) PROPANOIC ACID AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-03-07 WO claimed
CN-118684605-A Preparation of ritgasan Process for the preparation of intermediates 山东新时代药业有限公司 2024-09-24 CN disclosed
CN-118546127-B Litasai Special synthetic method 成都天兴致远生物科技有限公司 2024-09-20 CN disclosed
CN-118546127-B Litasai Special synthetic method 成都天兴致远生物科技有限公司 2024-09-20 CN disclosed
CN-118546127-A Litasai Special synthetic method 成都天兴致远生物科技有限公司 2024-08-27 CN disclosed
CN-118546127-A Litasai Special synthetic method 成都天兴致远生物科技有限公司 2024-08-27 CN disclosed
CN-118420572-A Synthesis method of medicine intermediate benzofuran-6-carboxylic acid 山东新时代药业有限公司 2024-08-02 CN disclosed
CN-118420573-A Preparation method of litaxetil intermediate benzofuran-6-carboxylic acid 山东新时代药业有限公司 2024-08-02 CN disclosed
CN-118420531-A Preparation method of ritalst intermediate 山东新时代药业有限公司 2024-08-02 CN disclosed
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARcode Bioscience, Inc. (US) 2013-06-13 US disclosed
US-20130144063-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2013-06-06 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
US-8367701-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-05 US disclosed
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2012-05-03 US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2009-12-03 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 (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-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 PNMT 3959/4885HTR2A 2926/4885HTR2C 3430/4885
US-20130144063-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 PNMT 3959/4885HTR2A 2926/4885HTR2C 3430/4885
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 PNMT 3959/4885HTR2A 2926/4885HTR2C 3430/4885
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 PNMT 3959/4885HTR2A 2926/4885HTR2C 3430/4885
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 PNMT 3959/4885HTR2A 2926/4885HTR2C 3430/4885

“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.