SCHEMBL20975798

SCHEMBL20975798

CCN1CCCCC2(CC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL14036057 0.93 TSHR (0.44) TSHRCYP2D6KMT2AHTR1AADRA1B
SCHEMBL255945 0.91 TSHR (0.42) TSHRCYP2D6KMT2AHTR1AADRA1B
SCHEMBL15032317 0.88 TSHR (0.44) TSHRCYP2D6KMT2AHTR1AADRA1B
SCHEMBL6923193 0.88 TSHR (0.47) TSHRCYP2D6KMT2AKDM4EGAA
SCHEMBL23559996 0.85 TSHR (0.48) TSHRCYP2D6KMT2AKDM4EGAA
SCHEMBL25090104 0.80 TSHR (0.52) TSHRCYP2D6KMT2ASMN1; SMN2
SCHEMBL20261316 0.79 TSHR (0.55) TSHRCYP2D6SMN1; SMN2OPRM1
SCHEMBL19978213 0.77 TSHR (0.53) TSHRCYP2D6HSD11B1OPRM1
SCHEMBL25779023 0.77 CYP2D6 (0.39) TSHRCYP2D6KMT2AKDM4EGAA
SCHEMBL143760 0.77

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-10280175-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-07 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-10280175-B2 Hepatitis B antiviral agents ZC3HAV1, HAVCR2, SLC10A1 TSHR 2861/4885CYP2D6 937/4885KMT2A 3354/4885

“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.