SCHEMBL5316448

SCHEMBL5316448

Nc1c(Br)cc(C(=O)NCC2CCNCC2)c2c1CCCO2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
HTR4 Q13639 3/20 0.43
CHRM1 P11229 13/20 0.42
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM5 P08912 2/20 0.41
HTR3A P46098 1/20 0.39

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
SCHEMBL5318150 0.88 HTR4 (0.53) HTR4CHRM1CHRM2CHRM4CHRM3
SCHEMBL14382457 0.86 HTR4 (0.44) HTR4HTR3A
SCHEMBL2332701 0.82 HTR4 (0.51) HTR4
Hydrochloric Acid SCHEMBL5631883 0.81 HTR4 (0.50) HTR4
SCHEMBL17978225 0.81 HTR4 (0.44) HTR4HTR3A
SCHEMBL5315555 0.80 KDM4E (0.49) HTR4
Hydrochloric Acid SCHEMBL5332277 0.80 HTR4 (0.47) HTR4HTR3A
Succinic Acid SCHEMBL5632076 0.79 HTR4 (0.47) HTR4
SCHEMBL5315558 0.79 HTR4 (0.41) HTR4HTR3A
SCHEMBL17978168 0.77 HTR4 (0.46) HTR4HTR3A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US claimed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 WO claimed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 WO disclosed
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 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-20070232657-A1 NOVEL COMPOUNDS HTR4, HTR5A, HTR6 PIM1 4048/4885PIM2 3517/4885HTR4 1/4885

“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.