SCHEMBL19798874

SCHEMBL19798874

CC(C)(C)C1(C)CCCN(CC2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRK1 P41145 4/20 0.41
OPRD1 P41143 3/20 0.41
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
KDM2B Q8NHM5 5/20 0.39
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN11A Q9UI33 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
EPHX2 P34913 1/20 0.37
ACHE P22303 1/20 0.35

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
SCHEMBL18199646 0.89 EPHX2 (0.41) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL18199652 0.83 CHRM5 (0.37) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL19798876 0.81 OPRM1 (0.43) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL18199691 0.79 CHRM5 (0.39) OPRM1OPRK1CHRM5ADRA2CSCN1A
SCHEMBL19799040 0.79 KDM2B (0.44) CHRM5ADRA2CKDM2BSCN1ASCN4A
SCHEMBL19798875 0.79 KDM2B (0.39) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL18199682 0.76 CHRM5 (0.45) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL21120718 0.76 KDM2B (0.42) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL21120722 0.76 KDM2B (0.41) OPRM1OPRK1OPRD1CHRM5ADRA2C
SCHEMBL19799051 0.76 KDM2B (0.42) OPRM1OPRK1OPRD1CHRM5ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 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-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B OPRM1 4477/4885OPRK1 3718/4885OPRD1 4459/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B OPRM1 4477/4885OPRK1 3718/4885OPRD1 4459/4885

“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.