SCHEMBL4941740

SCHEMBL4941740

CNC(=O)C1(N2CCCCC2)CCN(OC=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
HSD11B2 P80365 1/20 0.35
GAA P10253 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.30
TSHR P16473 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
Formic Acid SCHEMBL4941735 0.76 HSD11B1 (0.35) HSD11B1HSD11B2SMN1; SMN2CYP3A4
SCHEMBL6175645 0.74 HSD11B1 (0.38) HSD11B1HSD11B2GAACYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL4611963 0.73 HSD11B1 (0.37) HSD11B1HSD11B2GAACYP2C19ALDH1A1
SCHEMBL18918484 0.68 SMN1; SMN2 (0.33) HSD11B1HSD11B2GAACYP2C19ALDH1A1
SCHEMBL4934520 0.67 TSHR (0.70) ALDH1A1TSHR
SCHEMBL59551 0.65
SCHEMBL232028 0.64 NPSR1 (0.39) HSD11B1HSD11B2GAACYP2C19ALDH1A1
SCHEMBL28582945 0.63 SMN1; SMN2 (0.30) SMN1; SMN2
Water SCHEMBL9407658 0.63 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL309605 0.63

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-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-09-16 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-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TACR2, TACR1, KIT HSD11B1 3987/4885HSD11B2 3012/4885GAA 2781/4885
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same KIT, TACR2, P2RX3 HSD11B1 4116/4885HSD11B2 3397/4885GAA 2390/4885

“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.