SCHEMBL338010

SCHEMBL338010

CC1(O)CCC(CC(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
HSD11B1 P28845 2/20 0.34
NAMPT P43490 1/20 0.33
ESR2 Q92731 1/20 0.32
DGAT1 O75907 2/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL337577 1.00 ARG1 (0.34) ARG1ARG2HSD11B1NAMPTESR2
SCHEMBL337516 1.00 ARG1 (0.34) ARG1ARG2HSD11B1NAMPTESR2
SCHEMBL6273456 0.85 LMNA (0.36) ARG1ARG2HSD11B1NAMPTDGAT1
Hydrochloric Acid SCHEMBL29904545 0.83 LMNA (0.35) ARG1ARG2HSD11B1NAMPTDGAT1
SCHEMBL19386547 0.82 HSD11B1 (0.33) ARG1ARG2HSD11B1NAMPTDGAT1
SCHEMBL16350871 0.81 ESR2 (0.33) ARG1ARG2NAMPTESR2
SCHEMBL16841434 0.81 FFAR4 (0.43)
SCHEMBL16841487 0.81 FFAR4 (0.43)
SCHEMBL337471 0.81 FFAR4 (0.43)
SCHEMBL16840125 0.79 HSD11B1 (0.35) HSD11B1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 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-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A ARG1 3277/4885ARG2 3313/4885HSD11B1 3337/4885

“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.