SCHEMBL298380

SCHEMBL298380

CNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.67
SLC6A2 P23975 3/20 0.67
SLC6A3 Q01959 3/20 0.67
TSHR P16473 2/20 0.56
IDO1 P14902 2/20 0.52
HTR2A P28223 6/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR5A P47898 1/20 0.51
HTR6 P50406 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KCNH2 Q12809 5/20 0.49
PNMT P11086 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL30139650 1.00 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3TSHRIDO1
SCHEMBL30139651 1.00 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3TSHRIDO1
Hydrochloric Acid SCHEMBL6076721 0.98 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3TSHRIDO1
Hydrochloric Acid SCHEMBL2540387 0.96 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3TSHRIDO1
Trifluoroacetic Acid SCHEMBL6257839 0.83 TSHR (0.54) SLC6A4SLC6A2SLC6A3TSHRSMN1; SMN2
SCHEMBL14194862 0.83 HTR2A (0.49) SLC6A4SLC6A2SLC6A3TSHRHTR2A
SCHEMBL8342820 0.83 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3TSHRHTR2A
SCHEMBL23583427 0.82 CYP1A2 (0.57) SLC6A4SLC6A2SLC6A3TSHRIDO1
SCHEMBL8987672 0.81 L3MBTL1 (0.65) SLC6A4SLC6A2SLC6A3TSHRIDO1
SCHEMBL5406572 0.81 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3TSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US claimed
EP-1377560-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-09-21 EP claimed
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 US claimed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US claimed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO claimed
EP-1377560-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 WO claimed
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
WO-1995035279-A1 SUBSTITUTED ALKYLDIAMINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-12-28 WO disclosed
EP-0589971-A1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-04-06 EP disclosed
WO-1992022527-A2 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1992-12-23 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R SLC6A4 2513/4885SLC6A2 3349/4885SLC6A3 3674/4885
US-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF SLC6A4 4141/4885SLC6A2 3531/4885SLC6A3 3643/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 SLC6A4 2710/4885SLC6A2 4625/4885SLC6A3 3804/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 SLC6A4 269/4885SLC6A2 668/4885SLC6A3 527/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ SLC6A4 4403/4885SLC6A2 4767/4885SLC6A3 4412/4885

“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.