SCHEMBL17066466

SCHEMBL17066466

CNC(=O)NCC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.55
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CA9 Q16790 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP2D6 P10635 1/20 0.44
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL8944799 0.96 EPHX1 (0.60) EPHX1CA12CA1CA2MMP1
SCHEMBL8392793 0.94 EPHX1 (0.63) EPHX1CA12CA1CA2MMP1
SCHEMBL12252072 0.91
SCHEMBL7021367 0.86 EPHX1 (0.63) EPHX1CA12CA1CA2MMP1
SCHEMBL12361378 0.84 TDP1 (0.53) EPHX1CA12CA1CA2MMP1
SCHEMBL22540402 0.82 EPHX1 (0.70) EPHX1CA12CA1CA2MMP1
SCHEMBL21551277 0.82 ALOX15 (0.56) EPHX1TDP1EPHX2ALDH1A1CYP3A4
SCHEMBL13853551 0.82 NPC1 (0.42) EPHX1TDP1EPHX2ALDH1A1CYP3A4
SCHEMBL7022372 0.81 EPHX1 (0.69) EPHX1CA12CA1CA2MMP1
SCHEMBL20666090 0.81 EPHX1 (0.53) EPHX1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850242-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2017-12-26 US disclosed
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-9446046-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-20 US disclosed
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-04 US disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 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 (2 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-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 EPHX1 3686/4885CA12 4481/4885CA1 4295/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 EPHX1 3686/4885CA12 4481/4885CA1 4295/4885

“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.