SCHEMBL9968464

SCHEMBL9968464

COC1CCC2(CCN(C(C)(C)C)CC2)OC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL18418124 0.85 GRIN2D (0.31) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15188954 0.81
SCHEMBL9971213 0.77 KDM4E (0.33)
SCHEMBL10119946 0.77 CYP2D6 (0.30)
SCHEMBL9968463 0.77 HSD11B1 (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL27114624 0.77 CYP1A2 (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL25990794 0.74 GRIN2D (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16903788 0.70 KCNH2 (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12212835 0.70 KCNH2 (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL680053 0.68 HSD11B1 (0.35)

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-9056865-B2 Pyridine-2-derivatives as smoothened receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER INC. (US) 2013-08-15 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 GRIN2D 4366/4885GRIN3B 4055/4885CHRM2 901/4885
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS SMO, EDNRB, RXFP1 GRIN2D 1537/4885GRIN3B 1475/4885CHRM2 59/4885

“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.