SCHEMBL20176124

SCHEMBL20176124

FC(c1ccccc1)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1E P28566 2/20 0.40
S1PR3 Q99500 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
RECQL P46063 1/20 0.37
CA1 P00915 1/20 0.37
CHRM3 P20309 2/20 0.37
PKM P14618 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
SCHEMBL17816121 0.95 IDO1 (0.50) IDO1GAAL3MBTL1HTR1ES1PR3
SCHEMBL15873681 0.76 GAA (0.50) IDO1GAAL3MBTL1HTR1ES1PR3
SCHEMBL18257011 0.76 SLC6A4 (0.47) CYP2D6
SCHEMBL29993718 0.74 KDM4E (0.44) GAALMNAOPRM1CHRM3
SCHEMBL2677106 0.73 IDO1 (0.50) IDO1GAAL3MBTL1HTR1ES1PR3
SCHEMBL3310267 0.73 CYP1A2 (0.53) IDO1L3MBTL1HTR1ES1PR3MEN1
SCHEMBL29054036 0.73 GAA (0.52) IDO1GAAL3MBTL1HTR1ES1PR3
SCHEMBL13329672 0.73 IDO1 (0.46) IDO1GAAL3MBTL1HTR1ES1PR3
SCHEMBL8941666 0.73 IDO1 (0.46) IDO1GAAL3MBTL1HTR1ES1PR3
SCHEMBL11885874 0.73 IDO1 (0.50) IDO1GAAL3MBTL1HTR1ES1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 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-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC18A1, SLC18A3 IDO1 773/4885GAA 1333/4885L3MBTL1 4875/4885

“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.