SCHEMBL4510248

SCHEMBL4510248

Clc1cccc(C2=CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 1.00
SIGMAR1 Q99720 2/20 0.66
QDPR P09417 2/20 0.54
SOS1 Q07889 1/20 0.47
HTR7 P34969 2/20 0.47
MAPT P10636 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR3A P46098 1/20 0.47
HTR6 P50406 1/20 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 SCHEMBL3788041 0.98 HTR2C (1.00) HTR2CSIGMAR1QDPRSOS1HTR7
SCHEMBL14704909 0.90 HTR2C (0.82) HTR2CSIGMAR1QDPRSOS1HTR7
SCHEMBL14705031 0.85 HTR2C (0.73) HTR2CSIGMAR1HTR7HTR2AHTR3A
SCHEMBL28688462 0.82 SIGMAR1 (0.69) HTR2CSIGMAR1QDPRHTR7MAPT
SCHEMBL4791120 0.81 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRHTR7HTR2A
Hydrochloric Acid SCHEMBL28678896 0.80 HTR2C (0.70) HTR2CSIGMAR1QDPRHTR7MAPT
SCHEMBL531984 0.80 SIGMAR1 (1.00) HTR2CSIGMAR1QDPRHTR7MAPT
SCHEMBL21228136 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL4793458 0.79 HTR2C (0.79) HTR2CSIGMAR1QDPRHTR7MAPT
SCHEMBL30431801 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
US-20090306144-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS VOLK BALAZS 2009-12-10 US disclosed
US-20090281137-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS VOLK BALAZS 2009-11-12 US disclosed
EP-1751138-B9 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS GYOGYSZERGYAR NYRT (HU) 2008-11-12 EP disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
EP-1751138-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
EP-1751134-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2005108390-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 WO disclosed
WO-2005108388-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0271099-A2 Substituted aminopropionic acid amides, process for their preparation, agents containing them and their use as well as the intermediates formed during the preparation HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-15 EP disclosed
US-4575555-A ANTIDEPRESSANTS MEAD JOHNSON & COMPANY (US) 1986-03-11 US disclosed
US-4575555-A ANTIDEPRESSANTS MEAD JOHNSON & COMPANY (US) 1986-03-11 US disclosed
US-4487773-A ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1984-12-11 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HTR2C 2910/4885SIGMAR1 234/4885QDPR 603/4885
US-20090306144-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS HTR7, HTR2C, HTR1A HTR2C 2/4885SIGMAR1 187/4885QDPR 207/4885
US-20090281137-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS TPH2, TPH1, IDO1 HTR2C 5/4885SIGMAR1 1428/4885QDPR 250/4885
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY HTR2C 4552/4885SIGMAR1 628/4885QDPR 752/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 HTR2C 222/4885SIGMAR1 243/4885QDPR 91/4885

“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.