SCHEMBL2934047

SCHEMBL2934047

Nc1ccc2[nH]cc(CCN3CCCC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.71
HTR1D P28221 10/20 0.67
HTR1B P28222 10/20 0.67
HTR2A P28223 3/20 0.64
BRD4 O60885 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR1A P08908 1/20 0.53

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
SCHEMBL26508337 0.97 MPO (0.67) MPOHTR1DHTR1BHTR2AHPGD
SCHEMBL26508329 0.86 HTR2A (0.65) MPOHTR1DHTR1BHTR2AHTR1A
SCHEMBL2933511 0.83 HTR1A (0.75) MPOHTR1DHTR1BHTR2AHTR1A
SCHEMBL8506914 0.83 HTR1D (0.71) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL27095364 0.83 HTR7 (0.71) MPOHTR1DHTR1BHTR2AHTR1A
SCHEMBL733997 0.83 MPO (1.00) MPOHTR1DHTR1BHTR2AHTR1A
SCHEMBL26989598 0.82 HTR7 (0.70) MPOHTR1DHTR1BHTR2AHTR1A
SCHEMBL733711 0.82 MPO (0.97) MPOHTR1DHTR1BHTR2AHTR1A
SCHEMBL6969548 0.81 HTR1D (0.73) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL8506288 0.81 HTR1D (1.00) MPOHTR1DHTR1BHTR2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910157-B Indole compounds and methods of treating visceral pain NEURAXON INC 2014-05-07 CN disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
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
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US 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
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 MPO 500/4885HTR1D 6/4885HTR1B 7/4885

“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.