SCHEMBL616559

SCHEMBL616559

C=C(C)c1cn(CCCCCCCC)nn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.51
GBA1 P04062 12/20 0.47
EPHX2 P34913 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL1001536 0.81 SMPD1 (0.51) SMPD1GBA1EPHX2
SCHEMBL23130873 0.79 SMPD1 (0.49) SMPD1GBA1EPHX2
SCHEMBL18884734 0.78 GBA1 (0.54) SMPD1GBA1EPHX2HRH4HRH3
SCHEMBL19562960 0.78 NR1H4 (0.43)
SCHEMBL27424234 0.78 GBA1 (0.54) SMPD1GBA1EPHX2HRH4HRH3
SCHEMBL21249256 0.76 SMPD1 (0.56) SMPD1GBA1EPHX2HRH4HRH3
SCHEMBL21249259 0.76 SMPD1 (0.56) SMPD1GBA1EPHX2HRH4HRH3
SCHEMBL16263567 0.74 SMPD1 (0.54) SMPD1GBA1HRH4HRH3
SCHEMBL14289745 0.74 SMPD1 (0.54) SMPD1GBA1HRH4HRH3
SCHEMBL6072137 0.73 DPP4 (0.45) SMPD1GBA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657125-B2 Reactive monomer for a coating and/or reactive coating ISP INVESTMENTS LLC (US) 2017-05-23 US claimed
US-20120312191-A1 REACTIVE MONOMER FOR A COATING AND/OR REACTIVE COATING AVOCA LLC 2012-12-13 US claimed
WO-2011085150-A1 REACTIVE MONOMER FOR COATING AND/OR REACTIVE COATING ISP INVESTMENTS INC. (US) 2011-07-14 WO claimed
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ISP INVESTMENTS LLC (US) 2018-10-09 US disclosed
EP-2405757-B1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2017-11-08 EP disclosed
US-9657125-B2 Reactive monomer for a coating and/or reactive coating ISP INVESTMENTS LLC (US) 2017-05-23 US disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 US disclosed
US-20120312191-A1 REACTIVE MONOMER FOR A COATING AND/OR REACTIVE COATING AVOCA LLC 2012-12-13 US disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
WO-2011085150-A1 REACTIVE MONOMER FOR COATING AND/OR REACTIVE COATING ISP INVESTMENTS INC. (US) 2011-07-14 WO 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-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C SMPD1 4760/4885GBA1 4816/4885EPHX2 1689/4885
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ADH5, ADH1A, ADH1C SMPD1 4760/4885GBA1 4816/4885EPHX2 1689/4885
US-20120312191-A1 REACTIVE MONOMER FOR A COATING AND/OR REACTIVE COATING TH, TET3, PRMT5 SMPD1 4880/4885GBA1 4836/4885EPHX2 1409/4885
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C SMPD1 4760/4885GBA1 4816/4885EPHX2 1689/4885

“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.