SCHEMBL10199642

SCHEMBL10199642

CSc1ccc2cnn(C[C@H](C)N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.68
HTR2C P28335 17/20 0.68
HTR2B P41595 8/20 0.68
HTR1A P08908 2/20 0.68
ADRA2A P08913 2/20 0.68
ADRA2B P18089 2/20 0.68
ADRA2C P18825 2/20 0.68
HTR1D P28221 1/20 0.68
HTR7 P34969 1/20 0.68
HTR4 Q13639 1/20 0.68
KMO O15229 2/20 0.45

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
SCHEMBL905933 1.00 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8006854 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8009273 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8009278 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL906040 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL15713263 0.83 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL10252671 0.82 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8007544 0.81 HTR2C (0.69) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4779282 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6088764 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A

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 19 patents. 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
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-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
EP-2400300-A1 Method of screening preventives/remedies for stress urinary incontinence Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
WO-2011071136-A1 THERAPEUTIC AGENT FOR FIBROMYALGIA アステラス製薬株式会社 (JP) 2011-06-16 WO disclosed
EP-2248524-A2 Preventives/remedies for stress urinary incontinence and method of screening the same Takeda Pharmaceutical Company Limited (JP) 2010-11-10 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 5/4885HTR2C 2/4885HTR2B 15/4885
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2A 4/4885HTR2C 1/4885HTR2B 5/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR2A 4/4885HTR2C 1/4885HTR2B 5/4885
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA HTR2A, HTR2C, HTR3A HTR2A 1/4885HTR2C 2/4885HTR2B 4/4885
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C HTR2A 9/4885HTR2C 1/4885HTR2B 7/4885
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same ADRA2C, HTR2C, HTR3A HTR2A 5/4885HTR2C 2/4885HTR2B 15/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2A 4/4885HTR2C 1/4885HTR2B 5/4885

“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.