SCHEMBL905771

SCHEMBL905771

CC(N)Cc1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
PNMT P11086 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
FADS1 O60427 1/20 0.40
JAK2 O60674 2/20 0.39
SIRT1 Q96EB6 1/20 0.37
GSK3B P49841 2/20 0.36
CHEK1 O14757 1/20 0.36
PAK4 O96013 2/20 0.36
DYRK1A Q13627 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DCLK1 O15075 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
Fumaric Acid SCHEMBL8145083 0.89 BLM (0.46) HTR2AJAK2SIRT1GSK3BPAK4
SCHEMBL17229330 0.88 HTR2A (0.43) HTR2AFADS1JAK2SIRT1GSK3B
SCHEMBL5987890 0.82 HTR2A (0.55) HTR2ASLC6A2JAK2GSK3BDYRK1A
SCHEMBL905990 0.82 PDPK1 (0.54) HTR2AFADS1JAK2SIRT1GSK3B
Hydrochloric Acid SCHEMBL5989450 0.81 HTR1A (0.54) HTR2ASLC6A2JAK2GSK3BDYRK1A
SCHEMBL906084 0.79 HTR2A (0.57) HTR2A
SCHEMBL12327780 0.79 FADS1 (0.45) HTR2AFADS1JAK2SIRT1GSK3B
SCHEMBL5479193 0.79 FADS1 (0.45) HTR2AFADS1JAK2MCHR1
SCHEMBL14438359 0.78 FADS1 (0.43) HTR2AFADS1JAK2GSK3BCHEK1
Hydrochloric Acid SCHEMBL16880628 0.78 FADS1 (0.44) HTR2AFADS1JAK2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
US-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
US-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-29 US disclosed
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-29 US disclosed
EP-1792629-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME Takeda Pharmaceutical Company Limited (JP) 2007-06-06 EP disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 CN disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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 (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-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME ADRA2C, HTR2C, HTR3A HTR2A 5/4885PNMT 26/4885SLC6A2 57/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR2A 4/4885PNMT 113/4885SLC6A2 36/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885PNMT 97/4885SLC6A2 36/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885PNMT 97/4885SLC6A2 36/4885
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same ADRA2C, HTR2C, HTR3A HTR2A 5/4885PNMT 26/4885SLC6A2 57/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2A 4/4885PNMT 113/4885SLC6A2 36/4885

“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.