SCHEMBL2940253

SCHEMBL2940253

N=C(Nc1ccc2[nH]cc(C3=CCN(CCO)CC3)c2c1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.49
NOS1 P29475 7/20 0.49
NOS2 P35228 5/20 0.49
HTR1A P08908 4/20 0.49
DRD2 P14416 4/20 0.49
HTR2A P28223 2/20 0.49
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
Hydrochloric Acid SCHEMBL2926467 1.00 NOS3 (0.49) NOS3NOS1NOS2HTR1ADRD2
Hydrochloric Acid SCHEMBL2936581 0.90 KDM4E (0.54) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL2935260 0.90 KDM4E (0.54) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL1121961 0.88 NOS3 (0.64) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL7480943 0.82 HTR1A (0.52) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL12305089 0.81 NOS3 (0.52) NOS3NOS1NOS2
SCHEMBL7485135 0.81 DRD2 (0.51) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL2263676 0.80 NOS3 (0.64) NOS3NOS1NOS2HTR1ACYP3A4
SCHEMBL7482316 0.80 DRD2 (0.50) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL7490032 0.80 KDM4E (0.54) NOS3NOS1NOS2HTR1ADRD2

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 11 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
CN-101910157-A Indole compounds and methods of treating visceral pain NEURAXON INC 2010-12-08 CN 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 NOS3 5/4885NOS1 2/4885NOS2 4/4885

“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.