SCHEMBL689997

SCHEMBL689997

NC(=O)[N]c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.66
HTR3B O95264 2/20 0.66
HTR3A P46098 2/20 0.66
HTR3D Q70Z44 2/20 0.66
HTR3C Q8WXA8 2/20 0.66
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
SIGMAR1 Q99720 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
HSP90AA1 P07900 3/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
PLG P00747 1/20 0.42

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
SCHEMBL10847125 0.80 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4156742 0.76 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7277924 0.76 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL54470 0.73 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5511485 0.72 RAB9A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2005475 0.72 GAA (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL941460 0.72 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3283287 0.71 MEN1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1354442 0.71 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10017620 0.71 MEN1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759533-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9120776-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 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
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
EP-2759533-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-07-30 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
US-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 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 (4 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 HTR3E 24/4885HTR3B 10/4885HTR3A 22/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 HTR3E 534/4885HTR3B 252/4885HTR3A 616/4885
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA HTR3E 1031/4885HTR3B 1222/4885HTR3A 1401/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR3E 18/4885HTR3B 3/4885HTR3A 8/4885

“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.