SCHEMBL2936290

SCHEMBL2936290

NC(=Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 19/20 0.75
NOS3 P29474 18/20 0.75
NOS2 P35228 9/20 0.75
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59

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 SCHEMBL4137759 0.99 NOS1 (0.74) NOS1NOS3NOS2HTR1DHTR1B
Hydrochloric Acid SCHEMBL1122136 0.85 NOS1 (0.98) NOS1NOS3NOS2HTR1DHTR1B
SCHEMBL1122439 0.83 NOS3 (0.84) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL3416449 0.82 NOS3 (0.82) NOS1NOS3NOS2
SCHEMBL1121986 0.81 NOS3 (1.00) NOS1NOS3NOS2HTR1DHTR1B
SCHEMBL1122145 0.81 NOS1 (1.00) NOS1NOS3NOS2HTR1DHTR1B
Hydrochloric Acid SCHEMBL3381603 0.80 NOS3 (0.98) NOS1NOS3NOS2
SCHEMBL1122333 0.79 NOS3 (1.00) NOS1NOS3NOS2
SCHEMBL28791382 0.78 NOS3 (0.71) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL27832499 0.78 NOS3 (0.69) NOS1NOS3NOS2

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 5 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
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 NOS1 2/4885NOS3 5/4885NOS2 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.