SCHEMBL21376417

SCHEMBL21376417

CC1CCC(C)N(C(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CD O00329 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL21338968 0.80 LMNA (0.31) LMNAMAPT
SCHEMBL611642 0.76 CHRM2 (0.36) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL22541553 0.76 CHRM2 (0.36) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL5157222 0.76 CHRM2 (0.36) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL21339378 0.72 PER2 (0.35) LMNAMAPTCA1CA2CA4
SCHEMBL19565546 0.72 PER2 (0.35) LMNAMAPTCA1CA2CA4
SCHEMBL21339516 0.71 PIK3CD (0.35) PIK3CD
SCHEMBL14170526 0.70 ACHE (0.30)
SCHEMBL19565545 0.67 LMNA (0.32) LMNAMAPT
SCHEMBL21338965 0.67 LMNA (0.32) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 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 (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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R LMNA 3306/4885MAPT 3966/4885PIK3CD 1866/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R LMNA 3306/4885MAPT 3966/4885PIK3CD 1866/4885

“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.