SCHEMBL1055147

SCHEMBL1055147

CCCCCCC(N)c1cc(C(C)(C)C)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HCAR2 Q8TDS4 2/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.30
▸ CSNK1E P49674 1/20 0.30

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
SCHEMBL10697024 0.94 HPGD (0.36) CA2HPGDTSHRSCN10A
SCHEMBL2733970 0.73 CA2 (0.35) SLC2A1CA2
SCHEMBL21917834 0.72 GPR84 (0.35) HPGDTSHRHCAR2HCAR3GPR84
SCHEMBL22692196 0.65 HCAR2 (0.34) HCAR2HCAR3GPR84
SCHEMBL22664840 0.64 SLC2A1 (0.58) SLC2A1CA2OPRM1SCN10ASPHK1
SCHEMBL1206509 0.62 HPGD (0.56) HPGDTSHRHCAR2HCAR3
SCHEMBL12930817 0.61 HPGD (0.55) HPGDTSHR
Chloromethane SCHEMBL28758065 0.59 SLC2A1 (0.57) SLC2A1CA2OPRM1CSNK1E
SCHEMBL27922219 0.59 SLC2A1 (0.45) SLC2A1CA2OPRM1SPHK1CSNK1E
SCHEMBL4950737 0.57 OPRM1 (0.50) TSHROPRM1SPHK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 — — US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 — — US disclosed
US-8592471-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2013-11-26 — — US disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 — — EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 — — US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 — — US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 — — US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 — — US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 — — US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 — — 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 (8 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 SLC2A1 2756/4885CA2 1269/4885HPGD 1494/4885
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 SLC2A1 1311/4885CA2 2053/4885HPGD 1884/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 SLC2A1 1225/4885CA2 2164/4885HPGD 1567/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 SLC2A1 1489/4885CA2 950/4885HPGD 592/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 SLC2A1 1225/4885CA2 2164/4885HPGD 1567/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 SLC2A1 1311/4885CA2 2053/4885HPGD 1884/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 SLC2A1 1311/4885CA2 2053/4885HPGD 1884/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 SLC2A1 2078/4885CA2 860/4885HPGD 793/4885

“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.

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