SCHEMBL2932440

SCHEMBL2932440

CN1CCC(c2c[nH]c3ccc(OC(=O)NCc4ccccc4)cc23)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
HTR1D P28221 12/20 0.48
HTR1B P28222 12/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1F P30939 1/20 0.47
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2934570 0.79 KDM4E (0.60) KDM4EATMHTR1DHTR1BNOS3
SCHEMBL2935082 0.78 HTR1D (0.61) KDM4EATMHTR1DHTR1BNOS3
SCHEMBL28794345 0.78 HTR1D (0.55) KDM4EATMHTR1DHTR1BNOS3
SCHEMBL7539016 0.77 HTR1D (0.70) HTR1DHTR1BHTR1AHTR1FMAPT
SCHEMBL25072243 0.76 MTNR1A (0.65) KDM4EATMHTR1DHTR1BNOS3
SCHEMBL5363538 0.74 CYP1A2 (0.60) KDM4EATMHTR1DHTR1BNOS3
SCHEMBL7478845 0.74 HTR1D (0.70) HTR1DHTR1BHTR1AHTR1FMAPT
SCHEMBL4799796 0.74 MAPT (0.65) HTR1DHTR1BMTNR1AMTNR1BHTR1A
SCHEMBL9268388 0.74 KDM4E (0.61) KDM4EATMHTR1DHTR1BNOS3
SCHEMBL7477707 0.73 HTR1D (0.64) HTR1DHTR1BNOS1HTR1AHTR1F

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-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
EP-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 EP disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 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-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN TPH1, NOS1, IDO1 KDM4E 2304/4885ATM 3514/4885HTR1D 6/4885

“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.