SCHEMBL92937

SCHEMBL92937

BN1CCCC[C@H]1CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.36
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL24872393 0.81 CYP1A2 (0.44) BRD4DRD1HRH2HTR2AHTR2C
SCHEMBL92931 0.79 KMT2A (0.30) —
SCHEMBL13968227 0.78 FFAR1 (0.38) POLBOPRD1
SCHEMBL3035722 0.78 L3MBTL1 (0.38) POLBFKBP1AKDM4EALDH1A1
SCHEMBL12606506 0.78 CHRM2 (0.41) POLBFKBP1A
SCHEMBL1779547 0.78 L3MBTL1 (0.38) POLBFKBP1AKDM4EALDH1A1
SCHEMBL11990444 0.76 EPHX2 (0.33) EPHX2BRD4SMN1; SMN2DRD1HRH2
SCHEMBL11990399 0.76 EPHX2 (0.33) EPHX2BRD4SMN1; SMN2DRD1HRH2
SCHEMBL19349848 0.76 SMN1; SMN2 (0.44) EPHX2BRD4SMN1; SMN2OPRD1ALDH1A1
SCHEMBL25346172 0.76 CTSK (0.46) EPHX2POLBBRD4

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-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 — — US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 — — US disclosed
US-20100267730-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 — — US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 — — US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 — — 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 (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-20110288098-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 EPHX2 3560/4885POLB 3898/4885BRD4 1/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 EPHX2 3754/4885POLB 1998/4885BRD4 151/4885
US-20100267730-A1 NOVEL COMPOUNDS BRD4, DPP4, ITPR3 EPHX2 3934/4885POLB 4071/4885BRD4 1/4885
US-20100160345-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 EPHX2 3560/4885POLB 3898/4885BRD4 1/4885

“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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