SCHEMBL17679244

SCHEMBL17679244

CCN1CCC(C)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
PIK3CD O00329 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KMT2A Q03164 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
HSD11B1 P28845 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL19272946 0.83 PIK3CD (0.36) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL25045013 0.82 CA1 (0.43) SMN1; SMN2PIK3CDCHRM2CHRM4CHRM5
SCHEMBL27615004 0.77 ACE (0.37) SMN1; SMN2PIK3CDCHRM2CHRM4CHRM5
Methyl Alcohol SCHEMBL27615034 0.76 ACE (0.36) SMN1; SMN2PIK3CDCHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL28093485 0.72 ACHE (0.58)
Hydrochloric Acid SCHEMBL8129116 0.72 SMN1; SMN2 (0.41) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL12066432 0.71
SCHEMBL6629045 0.71
SCHEMBL14074335 0.70
SCHEMBL11619916 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134661-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2018-05-17 US disclosed
US-9951012-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2018-04-24 US disclosed
US-20180037551-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2018-02-08 US disclosed
US-20170240510-A1 PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2017-08-24 US disclosed
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-04-14 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 (4 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-20180037551-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C SMN1; SMN2 4090/4885PIK3CD 1951/4885CHRM2 200/4885
US-20180134661-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C SMN1; SMN2 4090/4885PIK3CD 1951/4885CHRM2 200/4885
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C SMN1; SMN2 4573/4885PIK3CD 1923/4885CHRM2 200/4885
US-20170240510-A1 PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C SMN1; SMN2 4090/4885PIK3CD 1951/4885CHRM2 200/4885

“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.