SCHEMBL15037435

SCHEMBL15037435

CN1CC(C)(c2cccc(Cl)c2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 3/20 0.39
CTSD P07339 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
CCR2 P41597 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL3024068 0.82 MEN1 (0.41) HSD11B1MEN1KMT2ABACE1CTSD
SCHEMBL15037437 0.82 ALDH1A1 (0.50) HSD11B1MEN1KMT2ABACE1SRD5A1
SCHEMBL3020063 0.78 HSD11B1 (0.36) HSD11B1MEN1KMT2ABACE1CTSD
SCHEMBL9911479 0.74 SLC6A3 (0.49) HSD11B1MEN1KMT2ABACE1CCR2
SCHEMBL23341010 0.71 SLC6A3 (0.54) HSD11B1MEN1KMT2ACCR2DPP4
SCHEMBL9178123 0.71 SLC6A3 (0.50) HSD11B1MEN1KMT2ACCR2DPP4
SCHEMBL6448660 0.70 SLC6A4 (0.57) HSD11B1CCR2DPP4DPP8DPP9
SCHEMBL16475260 0.66 ALDH1A1 (0.46) HSD11B1MEN1KMT2ABACE1SRD5A1
SCHEMBL11805371 0.66 OPRM1 (0.45) HSD11B1MEN1KMT2ABACE1CCR2
SCHEMBL9729268 0.65 MEN1 (0.60) HSD11B1MEN1KMT2ACCR2DPP4

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-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 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 (1 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C HSD11B1 852/4885MEN1 2862/4885KMT2A 1114/4885

“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.