SCHEMBL184185

SCHEMBL184185

NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 1.00
PNMT P11086 2/20 1.00
SIGMAR1 Q99720 5/20 0.66
IDO1 P14902 5/20 0.54
ALOX15 P16050 2/20 0.52
IGF1R P08069 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50

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 SCHEMBL2540390 0.98 TAAR1 (0.95) TAAR1PNMTSIGMAR1IDO1ALOX15
Hydrochloric Acid SCHEMBL30496706 0.98 TAAR1 (0.95) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL4037320 0.86 PNMT (0.76) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL31497388 0.85 PNMT (0.73) TAAR1PNMTSIGMAR1IDO1ALOX15
Hydrochloric Acid SCHEMBL14829816 0.85 PNMT (0.73) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL4714764 0.85 PNMT (0.73) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL11332031 0.83 PNMT (0.70) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL11331998 0.83 PNMT (0.70) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL11324805 0.83 PNMT (0.70) TAAR1PNMTSIGMAR1IDO1ALOX15
SCHEMBL11332028 0.83 PNMT (0.70) TAAR1PNMTSIGMAR1IDO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118502014-A Optical fiber for high-strength low-loss optical cable and preparation method thereof 苏州赛晟班博科技有限公司 2024-08-16 CN claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 EP claimed
WO-2022200208-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 WO claimed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US claimed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 WO claimed

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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 TAAR1 3284/4885PNMT 1061/4885SIGMAR1 1500/4885
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX TAAR1 3744/4885PNMT 755/4885SIGMAR1 3874/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TAAR1 2707/4885PNMT 2640/4885SIGMAR1 4867/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 TAAR1 60/4885PNMT 18/4885SIGMAR1 91/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A TAAR1 145/4885PNMT 1540/4885SIGMAR1 112/4885

“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.