SCHEMBL21145990

SCHEMBL21145990

COC(=O)N1CC2COCC(C1)N2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
GRM5 P41594 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 2/20 0.33
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL21146017 0.83 USP2 (0.45) ALDH1A1
SCHEMBL19701967 0.75 TSHR (0.48) CHRNB2CHRNA4CHRNB4CHRNA3GRM5
SCHEMBL21145995 0.73 F2R (0.36) TSHR
SCHEMBL21738162 0.73 HRH3 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL14706990 0.72 GPR119 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL30091958 0.72 CHRNA4 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3GRM5
SCHEMBL21145998 0.71 HRH3 (0.34) CYP2D6
SCHEMBL24117892 0.71
SCHEMBL25143517 0.70
SCHEMBL21593873 0.70

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-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 WO 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP CHRNB2 3007/4885CHRNA4 3799/4885CHRNB4 3388/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP CHRNB2 3007/4885CHRNA4 3799/4885CHRNB4 3388/4885

“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.