SCHEMBL2535645

SCHEMBL2535645

CNC(=O)OC1CC[CH]CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.35
NAAA Q02083 2/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL2536695 0.95 EPHX1 (0.44) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL2539228 0.93 EPHX1 (0.44) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL2538955 0.91 EPHX1 (0.44) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL2536932 0.91 EPHX1 (0.47) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL2536147 0.89 EPHX1 (0.47) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL966301 0.87 EPHX1 (0.59) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL2538687 0.85 EPHX1 (0.42) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL2536272 0.85 EPHX1 (0.40) EPHX1SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL16230019 0.85 EPHX1 (0.62) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19
SCHEMBL19312134 0.85 EPHX1 (0.62) EPHX1SMN1; SMN2CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 EPHX1 1175/4885SMN1; SMN2 3569/4885CYP3A4 827/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 EPHX1 910/4885SMN1; SMN2 3448/4885CYP3A4 445/4885

“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.