SCHEMBL173633

SCHEMBL173633

NCCn1ncc2ccc3occc3c21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.65
HTR2A P28223 15/20 0.65
HTR2B P41595 5/20 0.42
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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 SCHEMBL6197170 0.99 HTR2C (0.64) HTR2CHTR2AHTR2BNFKB1MAOA
SCHEMBL6194351 0.85 HTR2C (0.61) HTR2CHTR2AHTR2BNFKB1MAOA
SCHEMBL6195477 0.81 HTR2C (0.57) HTR2CHTR2AHTR2BADORA2A
SCHEMBL6199931 0.79 HTR2C (0.61) HTR2CHTR2AHTR2BNFKB1MAOA
Hydrochloric Acid SCHEMBL6195672 0.79 HTR2C (0.64) HTR2CHTR2AHTR2BNFKB1MAOA
SCHEMBL905958 0.79 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6196249 0.78 HTR2C (0.97) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6198656 0.78 HTR2C (0.97) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6198201 0.78 HTR2C (0.97) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6195270 0.78 HTR2A (0.43) HTR2CHTR2AHTR2BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP claimed
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US claimed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP claimed
CN-113024399-B Pharmaceutical intermediate compound and preparation method and application thereof 华东理工大学 2022-09-09 CN disclosed
CN-113024399-A Pharmaceutical intermediate compound and preparation method and application thereof 华东理工大学 2021-06-25 CN disclosed
CN-113024469-A Synthesis method of telmisartan intermediate 华东理工大学 2021-06-25 CN disclosed
US-20130267500-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. 2013-10-10 US disclosed
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
US-7476687-B2 Substituted furo[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2009-01-13 US disclosed
US-20090012291-A1 SUBSTITUTED FURO[2,3-g]INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2009-01-08 US disclosed
EP-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
WO-2005053688-A1 SUBSTITUTED FURO[2,3-G] INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-16 WO disclosed
US-6881749-B2 Pyranoindazoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-04-19 US disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
US-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 US disclosed
US-6696476-B2 SUCH AS 1-(2-AMINOPROPYL)-1,7,8,9-TETRAHYDRO-PYRANO(2,3-G)-INDAZOL-8-OL; LOWERING AND CONTROLLING INTRAOCULAR PRESSURE ALCON, INC. (CH) 2004-02-24 US disclosed
US-20030171418-A1 Reducing or controlling eye pressure NOVARTIS AG (CH) 2003-09-11 US disclosed
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP 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 (6 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20090012291-A1 SUBSTITUTED FURO[2,3-g]INDAZOLES FOR THE TREATMENT OF GLAUCOMA PTGIS, PTGIR, PTGS2 HTR2C 646/4885HTR2A 1195/4885HTR2B 1055/4885
US-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma PDE3A, CYP11B2, PDE3B HTR2C 2288/4885HTR2A 2774/4885HTR2B 2644/4885
US-20030171418-A1 Reducing or controlling eye pressure PDE3A, PDE3B, QDPR HTR2C 1978/4885HTR2A 1849/4885HTR2B 1919/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20130267500-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ADRA2C, HTR2C, HTR2A HTR2C 2/4885HTR2A 3/4885HTR2B 8/4885

“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.