SCHEMBL21145976

SCHEMBL21145976

CC(C)N1[C@@H]2CC[C@H]1C[C@H](C(N)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
EPHX1 P07099 1/20 0.34
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
GAA P10253 1/20 0.33
CHRM3 P20309 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRK1 P41145 3/20 0.32
KCNH2 Q12809 3/20 0.32
OPRM1 P35372 1/20 0.32
LMNA P02545 2/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23475160 0.82 MAPT (0.40) LMNACYP2C9ALDH1A1
SCHEMBL26997591 0.82 LMNA (0.32) LMNACYP2C9
SCHEMBL26728043 0.82 MAPT (0.40) LMNACYP2C9ALDH1A1
SCHEMBL4128527 0.81 LMNA (0.50) SMN1; SMN2GAACHRM3CHRM1OPRK1
SCHEMBL31008740 0.77 HRH3 (0.39) SMN1; SMN2CHRM1KCNH2LMNA
SCHEMBL21145996 0.77 CHRNB2 (0.43) SMN1; SMN2
SCHEMBL30226355 0.75 CHRM1 (0.44) SMN1; SMN2GAACHRM1KCNH2ALDH1A1
SCHEMBL761441 0.75
SCHEMBL9514959 0.73 CHRM3 (0.43) SMN1; SMN2CHRM3CHRM1LMNACYP2C9
SCHEMBL24487371 0.72 LMNA (0.61) CHRM3CHRM1LMNACYP2C9

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 SMN1; SMN2 3117/4885EPHX1 2864/4885CDK2 1502/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP SMN1; SMN2 3117/4885EPHX1 2864/4885CDK2 1502/4885

“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.