SCHEMBL20201099

SCHEMBL20201099

CN1CCCCC2(CCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.48
CYP1A2 P05177 2/20 0.42
TSHR P16473 7/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 8/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
GRM5 P41594 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
SCHEMBL13160758 0.95 USP2 (0.48) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL19198655 0.95 USP2 (0.48) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL19199024 0.92 USP2 (0.47) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL9966035 0.92 USP2 (0.55) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL4400144 0.92 USP2 (0.55) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL21120254 0.90 USP2 (0.53) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL18739535 0.90 USP2 (0.53) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL879178 0.90 USP2 (0.53) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL19738982 0.90 USP2 (0.53) USP2CYP1A2TSHRCYP2D6CYP2C9
SCHEMBL12946060 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S USP2 4199/4885CYP1A2 281/4885TSHR 834/4885

“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.