SCHEMBL19915014

SCHEMBL19915014

CC(C)(C)C1(c2ccccc2)NO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 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
SCHEMBL7534033 0.70 PKM (0.33) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL1148182 0.69 MMP2 (0.41) OPRM1MMP2MMP9ALDH1A1OPRK1
SCHEMBL1260071 0.67 OPRM1 (0.37) OPRM1KCNH2MMP2MMP9ALDH1A1
SCHEMBL15524924 0.64 OPRM1 (0.38) OPRM1KCNH2MMP2MMP9ALDH1A1
SCHEMBL18086910 0.62 OPRM1 (0.37) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL19915046 0.62 ALDH1A1 (0.38) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL11432661 0.62 ALDH1A1 (0.41) OPRM1MMP2MMP9ALDH1A1POLB
SCHEMBL28487408 0.62 OPRM1 (0.33) OPRM1KCNH2MMP2MMP9ALDH1A1
SCHEMBL21524 0.62 OPRM1 (0.45) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL20954171 0.62 OPRM1 (0.36) OPRM1GRIN2DGRIN3BCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155530-B2 Urea-oxaziridines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-26 US disclosed
US-20210155600-A1 Urea-Oxaziridines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 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 (3 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-11155530-B2 Urea-oxaziridines TST, METTL14, TMT1A OPRM1 141/4885GRIN2D 1835/4885GRIN3B 2634/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 OPRM1 544/4885GRIN2D 3561/4885GRIN3B 3714/4885
US-20210155600-A1 Urea-Oxaziridines TST, METTL14, TMT1A OPRM1 141/4885GRIN2D 1835/4885GRIN3B 2634/4885

“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.