SCHEMBL7510048

SCHEMBL7510048

O=Cc1cncn1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
ADORA2A P29274 1/20 0.38
CNOT7 Q9UIV1 3/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL7509773 0.91 CYP11B1 (0.46) CYP11B1CYP11B2IDO1GSK3AGSK3B
SCHEMBL18307216 0.84 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1PKMDAO
SCHEMBL1757759 0.83 CYP11B1 (0.66) CYP11B1CYP11B2IDO1ALDH1A1PKM
SCHEMBL7694608 0.81 CYP11B1 (0.75) CYP11B1CYP11B2
SCHEMBL8135755 0.79 CYP11B1 (0.65) CYP11B1CYP11B2IDO1ALDH1A1
SCHEMBL7699859 0.76 CYP11B1 (0.50) CYP11B1CYP11B2ALDH1A1
SCHEMBL5935193 0.75 CYP11B1 (0.63) CYP11B1CYP11B2IDO1MGLL
SCHEMBL7260734 0.75 CYP11B1 (0.54) CYP11B1CYP11B2HTTIDO1ALDH1A1
SCHEMBL6989844 0.75 TSHR (0.48) CYP11B1CYP11B2HTTIDO1ALDH1A1
SCHEMBL2780498 0.75 HTT (0.47) CYP11B1CYP11B2HTTIDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362237-A Synthesis method of etomidate 化学与精细化工广东省实验室 2024-01-09 CN claimed
CN-117362237-A Synthesis method of etomidate 化学与精细化工广东省实验室 2024-01-09 CN disclosed
CN-117362237-A Synthesis method of etomidate 化学与精细化工广东省实验室 2024-01-09 CN disclosed
US-20020156113-A1 Farnesyl transferase inhibitors; anticancer agents LES LABORATOIRES SERVIER (FR) 2002-10-24 US disclosed
EP-1225170-A2 Cycloheptene compounds, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier S.A. (FR) 2002-07-24 EP disclosed
EP-1054882-A1 CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2000-11-29 EP disclosed
WO-1999041248-A1 CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 1999-08-19 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 (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-20020156113-A1 Farnesyl transferase inhibitors; anticancer agents COASY, FNTA, FNTB CYP11B1 147/4885CYP11B2 399/4885HTT 4285/4885

“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.