SCHEMBL2935540

SCHEMBL2935540

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

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
SLC6A4 P31645 2/20 0.52
NOS1 P29475 2/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR1A P08908 3/20 0.51
DRD2 P14416 3/20 0.51
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51

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 SCHEMBL11233239 0.88 KDM4E (0.57) OPRM1OPRK1SLC6A4NOS1KDM4E
SCHEMBL10366941 0.86 OPRM1 (0.71) OPRM1OPRK1SLC6A4HTR1ADRD2
SCHEMBL2934369 0.86 KDM4E (0.70) OPRM1OPRK1SLC6A4NOS1KDM4E
SCHEMBL27795707 0.85 KDM4E (0.53) OPRM1OPRK1SLC6A4NOS1KDM4E
SCHEMBL11223590 0.83 KDM4E (0.73) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL7479356 0.82 SLC6A4 (0.76) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL2929141 0.81 SLC6A4 (0.72) SLC6A4HTR1ADRD2DRD4HTR2A
Ammonia Solution, Strong SCHEMBL1122493 0.81 SLC6A4 (0.74) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL11224825 0.80 DRD2 (0.69) OPRM1OPRK1SLC6A4HTR1ADRD2
SCHEMBL6976036 0.79 HTR1A (0.63) SLC6A4KDM4ELMNAALOX15HTR1A

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 9 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
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 OPRM1 52/4885OPRK1 23/4885SLC6A4 57/4885

“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.