SCHEMBL890062

SCHEMBL890062

CC(C)C1CC2(CNC(=O)O2)CN1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
CHRNA7 P36544 2/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK8 P49336 2/20 0.31
CDK19 Q9BWU1 2/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
OPRM1 P35372 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PIK3CD O00329 1/20 0.30
CCNC P24863 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
SCHEMBL888618 0.84 CHRNA7 (0.34) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL10147273 0.80 CHRNA7 (0.41) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL26798272 0.74 LMNA (0.34) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL10216998 0.74 LMNA (0.34) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL12599115 0.73 CHRNA7 (0.35) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL19199719 0.71 SIGMAR1 (0.39) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL19250240 0.71 LMNA (0.38) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL19198986 0.71 SIGMAR1 (0.39) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL30112587 0.71 LMNA (0.43) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL18948975 0.71 CHRNA7 (0.33) LMNACHRM2ADRA2ACYP2D6TSHR

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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (3 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885CHRM2 4855/4885ADRA2A 4147/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 LMNA 886/4885CHRM2 4778/4885ADRA2A 3290/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 LMNA 2791/4885CHRM2 4835/4885ADRA2A 4166/4885

“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.