SCHEMBL3483026

SCHEMBL3483026

C[N]Cc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
PNMT P11086 2/20 0.58
TAAR1 Q96RJ0 4/20 0.54
CYP3A4 P08684 2/20 0.52
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
GRIN2B Q13224 5/20 0.52
AOC3 Q16853 1/20 0.50
CHRM2 P08172 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL3482884 0.79 TAAR1 (0.52) TAAR1IDO1
SCHEMBL11475277 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13668027 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL91280 0.78
SCHEMBL9978260 0.77 ENPP2 (0.54) TAAR1CYP3A4CHRM2
SCHEMBL2092094 0.77 TAAR1 (0.50) TAAR1IDO1AGXT
SCHEMBL2997176 0.77 MIF (0.58) TAAR1IDO1AGXTGRIN2B
SCHEMBL3300276 0.77 PNMT (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12050856 0.77 TAAR1 (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL268556 0.76 PNMT (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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 29 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
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN 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-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN disclosed
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-09-22 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HTR3E 804/4885HTR3B 835/4885HTR3A 741/4885
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor NPY5R, NPY1R, NPY2R HTR3E 253/4885HTR3B 207/4885HTR3A 277/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HTR3E 694/4885HTR3B 930/4885HTR3A 515/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R HTR3E 166/4885HTR3B 137/4885HTR3A 145/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 HTR3E 3818/4885HTR3B 3349/4885HTR3A 3509/4885

“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.