SCHEMBL184089

SCHEMBL184089

Clc1cc2c(cc1Cl)CNCC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.61
ASIC3 Q9UHC3 2/20 0.52
HTR2A P28223 4/20 0.50
HTR2C P28335 4/20 0.50
HTR2B P41595 4/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47

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 SCHEMBL184033 0.98 PNMT (0.59) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL20909783 0.86 PNMT (0.52) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL14992356 0.86 HTR2A (0.54) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL22545196 0.86 PNMT (0.52) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL31139061 0.86 PNMT (0.52) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL27087829 0.86 PNMT (0.52) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL29098022 0.86 PNMT (0.52) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL20909780 0.86 PNMT (0.52) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL107123 0.82 PNMT (0.43) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL20571565 0.81 HTR2C (0.59) PNMTHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040990-A1 Antiallergic imidodisulfamides, their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1981-12-02 EP claimed
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2023-02-21 US disclosed
CN-109280030-B Benzazaylalkyl aryl piperazine derivative and application thereof in preparing medicines 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
CN-110483511-B Synthetic method of quinazolinone polycyclic compound 常州大学 2021-06-22 CN disclosed
US-20210015829-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2021-01-21 US disclosed
CN-110483511-A A kind of synthetic method of quinazolinone polycyclic compounds UNIV CHANGZHOU 2019-11-22 CN disclosed
CN-109280030-A Benzene a pair of horses going side by side azepine alkylaryl bridged piperazine derivatives and application in medicine preparation 江苏恩华药业股份有限公司 2019-01-29 CN disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
WO-2008024398-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-02-28 WO disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 US disclosed
US-4767862-A ANIMAL ADRENERGIC BLOCKING AGENTS; CARDIOVASCULAR DISORDERS, HEADACHES, GLAUCOMA SMITHKLINE BECKMAN CORPORATION (US) 1988-08-30 US disclosed
US-4707485-A Substituted te[1]trahydroisoquinoline derivatives having β-adrenergic receptor activity SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0210827-A2 Tetrahydroisoquinoline derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 1987-02-04 EP 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 (4 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-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 PNMT 2492/4885ASIC3 2793/4885HTR2A 1122/4885
US-20210015829-A1 CYCLIC TREX1 INHIBITORS TMX1, TSNAX, TPX2 PNMT 4196/4885ASIC3 1556/4885HTR2A 3214/4885
US-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 PNMT 323/4885ASIC3 1995/4885HTR2A 37/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PNMT 4249/4885ASIC3 4118/4885HTR2A 2517/4885

“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.