SCHEMBL1716130

SCHEMBL1716130

NC(=O)NC1CCc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.52
MTNR1A P48039 6/20 0.47
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PTK2B Q14289 1/20 0.40
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39
MTNR1B P49286 3/20 0.39
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
RIPK1 Q13546 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL23275075 0.84 MTNR1A (0.46) SMYD3MTNR1AGAAMAPTPTK2B
SCHEMBL7954949 0.84 SMYD3 (0.46) SMYD3MTNR1AGAAMAPTPTK2B
SCHEMBL28119251 0.78 SMYD3 (0.44) SMYD3MTNR1AGAAMAPTCA1
SCHEMBL8568355 0.77 MTNR1A (0.50) SMYD3MTNR1AGAAMTNR1BCA1
SCHEMBL8568359 0.77 MTNR1A (0.50) SMYD3MTNR1AGAAMTNR1BCA1
SCHEMBL8568363 0.77 MTNR1A (0.50) SMYD3MTNR1AGAAMTNR1BCA1
SCHEMBL1268909 0.76 SMYD3 (0.59) SMYD3MTNR1AGAAMAPTPTK2B
SCHEMBL20870877 0.75 PDPK1 (0.46) SMYD3MTNR1AGAAMAPTMTNR1B
SCHEMBL535128 0.74 CYP3A4 (0.43) SMYD3MTNR1AGAAMAPTMASP2
SCHEMBL5685869 0.72 MTNR1A (0.57) SMYD3MTNR1AGAAMAPTPTK2B

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
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP claimed
JP-2007523888-A 2007-08-23 JP claimed
EP-1685112-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2006-08-02 EP claimed
WO-2005044802-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VRL ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-05-19 WO claimed
US-4466967-A NONTOXIC INSECTICIDES ROHM AND HAAS COMPANY (US) 1984-08-21 US claimed
US-4419360-A UREA OR THIOUREA DERIVATIVES ROHM AND HAAS COMPANY (US) 1983-12-06 US claimed
US-20230115534-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2023-04-13 US disclosed
WO-2021127303-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2021-06-24 WO disclosed
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives BAYER HEALTHCARE AG (DE) 2007-09-13 US disclosed
EP-1685112-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
EP-1685112-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
WO-2005044802-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VRL ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-05-19 WO disclosed
WO-2005044802-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VRL ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-05-19 WO disclosed
US-4466967-A NONTOXIC INSECTICIDES ROHM AND HAAS COMPANY (US) 1984-08-21 US disclosed
US-4419360-A UREA OR THIOUREA DERIVATIVES ROHM AND HAAS COMPANY (US) 1983-12-06 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 (3 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-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, NQO2 SMYD3 4638/4885MTNR1A 91/4885GAA 2347/4885
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, HVCN1 SMYD3 4452/4885MTNR1A 189/4885GAA 3048/4885
US-20230115534-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PSEN1, PSEN2 SMYD3 4658/4885MTNR1A 1749/4885GAA 329/4885

“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.