SCHEMBL2938112

SCHEMBL2938112

CN1CCC(C2(N)CNc3ccccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 9/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM1A O60341 1/20 0.33
OPRL1 P41146 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL1122826 0.72 CHRNA7 (0.36) OPRM1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL16566109 0.65 KDM1A (0.39) OPRM1KDM1AOPRL1ATM
SCHEMBL1670650 0.65 TNKS (0.46) OPRM1OPRL1KDM4ESIGMAR1
SCHEMBL5674186 0.65 KDM1A (0.41) OPRM1KDM1AOPRL1KDM4EATM
SCHEMBL12791302 0.64 OPRM1 (0.42) MAPK1OPRM1KDM1AOPRL1KDM4E
SCHEMBL30154972 0.64 MAPK1 (0.38) MAPK1SMN1; SMN2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL25230408 0.64 TNKS (0.45) OPRM1OPRL1KDM4ESIGMAR1
SCHEMBL4270096 0.63 TNKS (0.42) OPRM1KDM1AOPRL1KDM4ESIGMAR1
SCHEMBL14426246 0.62 TNKS (0.40) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL16566273 0.62 KDM1A (0.36) OPRM1KDM1AOPRL1

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 6 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
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
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 MAPK1 883/4885SMN1; SMN2 2539/4885OPRM1 52/4885

“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.