SCHEMBL6556322

SCHEMBL6556322

CCc1c(OC)cc2c(c1OC)C(=O)C[C@H]1CCN(C)C[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ACHE P22303 2/20 0.35
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HTR2C P28335 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PDE4D Q08499 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
HTR2A P28223 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
CYP3A4 P08684 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
SCHEMBL6556326 1.00 IDO1 (0.41) IDO1ACHECDK4CCND1HTR2C
SCHEMBL6556331 1.00 IDO1 (0.41) IDO1ACHECDK4CCND1HTR2C
SCHEMBL13213819 1.00 IDO1 (0.41) IDO1ACHECDK4CCND1HTR2C
SCHEMBL6556312 0.90 IDO1 (0.43) IDO1ACHEHTR2CCYP3A4
SCHEMBL6556315 0.90 IDO1 (0.43) IDO1ACHEHTR2CCYP3A4
SCHEMBL6556309 0.90 IDO1 (0.43) IDO1ACHEHTR2CCYP3A4
SCHEMBL1743580 0.88 IDO1 (0.55) IDO1CDK4CCND1HTR2CDRD2
SCHEMBL6558377 0.88 IDO1 (0.55) IDO1CDK4CCND1HTR2CDRD2
SCHEMBL1743583 0.88 IDO1 (0.55) IDO1CDK4CCND1HTR2CDRD2
SCHEMBL1743577 0.88 IDO1 (0.55) IDO1CDK4CCND1HTR2CDRD2

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
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
EP-2510949-A1 THERAPEUTIC AGENT FOR FIBROMYALGIA Astellas Pharma Inc. (JP) 2012-10-17 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
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
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-0958285-B1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES HOFFMANN LA ROCHE (CH) 2004-01-07 EP disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 US 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 IDO1 623/4885ACHE 12/4885CDK4 4007/4885
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B IDO1 363/4885ACHE 906/4885CDK4 1383/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B IDO1 363/4885ACHE 906/4885CDK4 1383/4885
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA HTR2A, HTR2C, HTR3A IDO1 1808/4885ACHE 588/4885CDK4 1522/4885
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C IDO1 530/4885ACHE 2687/4885CDK4 1018/4885
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same ADRA2C, HTR2C, HTR3A IDO1 623/4885ACHE 12/4885CDK4 4007/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B IDO1 363/4885ACHE 906/4885CDK4 1383/4885

“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.