SCHEMBL10199778

SCHEMBL10199778

COc1ccc2c(c1OC1CNC1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
SLC6A4 P31645 4/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
HTR2A P28223 1/20 0.40
HTR6 P50406 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38

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 SCHEMBL6954720 0.99 PDE4A (0.40) PDE4ASLC6A4HTR2CHTR2BHTR2A
SCHEMBL8554408 0.97 PDE4A (0.40) PDE4ASLC6A4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6964728 0.96 ADRA1D (0.40) PDE4ASLC6A4HTR2CHTR2BHTR2A
SCHEMBL255778 0.89 HTR1A (0.43) PDE4ASLC6A4HTR2CHTR2BHTR2A
SCHEMBL29301888 0.89 HTR1A (0.43) PDE4ASLC6A4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6959004 0.88 HTR1A (0.42) PDE4ASLC6A4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6963984 0.88 HTR1A (0.42) PDE4ASLC6A4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6969650 0.88 HTR1A (0.42) PDE4ASLC6A4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6971302 0.82 SLC6A2 (0.43) SLC6A4HTR2CHTR2BHTR1ASLC6A2
SCHEMBL11626560 0.79 ALDH1A1 (0.49) HTR2CHTR2BHTR2A

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 28 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-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 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-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
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

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-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME ADRA2C, HTR2C, HTR3A PDE4A 69/4885SLC6A4 55/4885HTR2C 2/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B PDE4A 1061/4885SLC6A4 21/4885HTR2C 1/4885
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C PDE4A 743/4885SLC6A4 67/4885HTR2C 1/4885
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same ADRA2C, HTR2C, HTR3A PDE4A 69/4885SLC6A4 55/4885HTR2C 2/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B PDE4A 1061/4885SLC6A4 21/4885HTR2C 1/4885

“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.