SCHEMBL6331371

SCHEMBL6331371

C[C@@H]1CNCC[C@@H]1c1cc(F)cc2ccoc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2A P28223 2/20 0.37
HTR6 P50406 5/20 0.34
EED O75530 1/20 0.34
PRKCQ Q04759 1/20 0.34
MPO P05164 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
REN P00797 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
SCHEMBL6331237 1.00 HTR2C (0.37) HTR2CHTR2AHTR6EEDPRKCQ
SCHEMBL6331369 1.00 HTR2C (0.37) HTR2CHTR2AHTR6EEDPRKCQ
Hydrochloric Acid SCHEMBL6332915 0.99 HTR6 (0.36) HTR2CHTR2AHTR6EEDPRKCQ
Hydrochloric Acid SCHEMBL6332920 0.99 HTR6 (0.36) HTR2CHTR2AHTR6EEDPRKCQ
Hydrochloric Acid SCHEMBL6332889 0.99 HTR6 (0.36) HTR2CHTR2AHTR6EEDPRKCQ
Hydrochloric Acid SCHEMBL6332890 0.99 HTR6 (0.36) HTR2CHTR2AHTR6EEDPRKCQ
Hydrochloric Acid SCHEMBL6332892 0.99 HTR6 (0.36) HTR2CHTR2AHTR6EEDPRKCQ
Hydrochloric Acid SCHEMBL6333184 0.85 HTR2C (0.35) HTR2CHTR2AHTR6EEDSLC6A2
Hydrochloric Acid SCHEMBL6333182 0.85 HTR2C (0.35) HTR2CHTR2AHTR6EEDSLC6A2
Hydrochloric Acid SCHEMBL6333185 0.85 HTR2C (0.35) HTR2CHTR2AHTR6EEDSLC6A2

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 26 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-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 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
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA ASTELLAS PHARMA INC. (JP) 2012-10-04 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 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 HTR2C 2/4885HTR2A 5/4885HTR6 21/4885
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR6 16/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR6 16/4885
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA HTR2A, HTR2C, HTR3A HTR2C 2/4885HTR2A 1/4885HTR6 11/4885
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same ADRA2C, HTR2C, HTR3A HTR2C 2/4885HTR2A 5/4885HTR6 21/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR6 16/4885

“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.