SCHEMBL13849302

SCHEMBL13849302

CN1CCC(C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
RIPK1 Q13546 1/20 0.38
NCF1 P14598 1/20 0.34
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL179337 0.85 NCF1 (0.40) RIPK1NCF1EPHX2HSD11B1CYP2D6
SCHEMBL9965910 0.82 GNAI3 (0.48) GNAI3GNAO1GNAI1RIPK1NCF1
SCHEMBL19343096 0.82 GNAI3 (0.48) GNAI3GNAO1GNAI1RIPK1NCF1
SCHEMBL13141334 0.79 EPHX2 (0.33) EPHX2HSD11B1CYP2D6KCNH2HRH3
SCHEMBL2735017 0.79 GNAI3 (0.50) GNAI3GNAO1GNAI1RIPK1NCF1
SCHEMBL10236411 0.76 L3MBTL1 (0.37) NCF1EPHX2HSD11B1CHRM3CYP2D6
SCHEMBL22142247 0.76 L3MBTL1 (0.37) NCF1EPHX2HSD11B1CHRM3CYP2D6
SCHEMBL24827877 0.76 HRH3 (0.51) EPHX2HSD11B1CYP2D6KCNH2HRH3
SCHEMBL13141338 0.74 EPHX2 (0.30) EPHX2HSD11B1
SCHEMBL18537540 0.74 ALDH1A1 (0.39) EPHX1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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 (1 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS GNAI3 2644/4885GNAO1 1967/4885GNAI1 2164/4885

“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.