SCHEMBL1762403

SCHEMBL1762403

c1ccc2c([C@H]3CCCC[C@H]3N3CCOCC3)csc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
SLC6A4 P31645 3/20 0.44
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
DRD2 P14416 1/20 0.42
KCNA5 P22460 1/20 0.40
SCN5A Q14524 1/20 0.40
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PRKDC P78527 3/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1762302 1.00 HTR7 (0.44) HTR7SLC6A4OPRM1OPRK1DRD2
SCHEMBL1762413 0.83 OPRM1 (0.42) SLC6A4OPRM1OPRK1DRD2KCNA5
SCHEMBL1762694 0.83 OPRM1 (0.42) SLC6A4OPRM1OPRK1DRD2KCNA5
SCHEMBL7799090 0.74 OPRM1 (0.40) HTR7OPRM1OPRK1KCNA5SCN5A
SCHEMBL3585848 0.74 KCNA5 (0.68) HTR7SLC6A4OPRM1OPRK1KCNA5
SCHEMBL2624918 0.74 KCNA5 (0.68) HTR7SLC6A4OPRM1OPRK1KCNA5
SCHEMBL3585845 0.74 KCNA5 (0.68) HTR7SLC6A4OPRM1OPRK1KCNA5
Hydrochloric Acid SCHEMBL7798770 0.73 OPRM1 (0.41) HTR7OPRM1OPRK1KCNA5SCN5A
Hydrochloric Acid SCHEMBL908544 0.73 KCNA5 (0.67) HTR7OPRM1OPRK1KCNA5SCN5A
Hydrochloric Acid SCHEMBL908545 0.73 KCNA5 (0.67) HTR7OPRM1OPRK1KCNA5SCN5A

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
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2012-04-19 US disclosed
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2011-05-19 US disclosed
US-7820712-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-10-26 US disclosed
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2009-10-29 US disclosed
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2008-08-07 US disclosed
US-20050026993-A1 Uses of ion channel modulating compounds CORREVIO CANADA CORP. (CA) 2005-02-03 US 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 (5 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-20050026993-A1 Uses of ion channel modulating compounds KCNN1, KCNN2, KCNN3 HTR7 662/4885SLC6A4 296/4885OPRM1 720/4885
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNN2 HTR7 602/4885SLC6A4 511/4885OPRM1 598/4885
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 HTR7 662/4885SLC6A4 296/4885OPRM1 720/4885
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 HTR7 662/4885SLC6A4 296/4885OPRM1 720/4885
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNJ2 HTR7 564/4885SLC6A4 493/4885OPRM1 668/4885

“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.