SCHEMBL4789465

SCHEMBL4789465

Fc1cccc(C2=CCNCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.66
SIGMAR1 Q99720 2/20 0.65
QDPR P09417 3/20 0.54
KHK P50053 1/20 0.51
HTR7 P34969 3/20 0.47
HTR2A P28223 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 SCHEMBL9532611 0.98 HTR2C (0.67) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL3386020 0.83 SIGMAR1 (0.59) HTR2CSIGMAR1QDPRHTR7HTR2A
SCHEMBL3686869 0.82 HTR2C (0.44) HTR2CSIGMAR1KHKHTR7HTR2A
Hydrochloric Acid SCHEMBL28669700 0.82 HTR2C (0.60) HTR2CSIGMAR1QDPRHTR7HTR2A
SCHEMBL4791120 0.81 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL6312184 0.80 QDPR (0.55) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL532892 0.80 HTR2C (0.66) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL6162512 0.79 HTR2C (0.54) HTR2CSIGMAR1QDPRKHKHTR6
Hydrochloric Acid SCHEMBL4793458 0.79 HTR2C (0.79) HTR2CSIGMAR1QDPRHTR7HTR2A
SCHEMBL21228136 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPR

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 24 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-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1226137-B8 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
EP-1226137-B1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI SYNTHELABO (FR) 2004-07-21 EP disclosed
US-6689797-B2 TUMOUR NECROSIS FACTOR MODULATORS SANOFI-SYNTHELABO (FR) 2004-02-10 US disclosed
CN-1433412-A Tetrahydropyridines, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2003-07-30 CN disclosed
US-20030083347-A1 Novel tetrahydropyridines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-05-01 US disclosed
US-6509351-B1 A method of inhibiting TNF- alpha in a patient in need thereof which comprises administering to said patient an effective amount of a compound for inflamation SANOFI-SYNTELABO (FR) 2003-01-21 US disclosed
EP-1248785-A1 NOVEL TETRAHYDROPYRIDINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2002-10-16 EP disclosed
EP-1226137-A1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI-SYNTHELABO (FR) 2002-07-31 EP disclosed
WO-2001049684-A1 NOVEL TETRAHYDROPYRIDINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-07-12 WO disclosed
WO-2001029026-A1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI-SYNTHELABO (FR) 2001-04-26 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 (3 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 HTR2C 1793/4885SIGMAR1 3731/4885QDPR 658/4885
US-20030083347-A1 Novel tetrahydropyridines, preparation method and pharmaceutical compositions containing same ADRB3, DRD3, CHRM3 HTR2C 422/4885SIGMAR1 145/4885QDPR 6/4885
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.