SCHEMBL6187585

SCHEMBL6187585

N#CC(=C1CCCCC1)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK10 P53779 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HCRTR1 O43613 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 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
SCHEMBL6186179 1.00 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6187781 0.98 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6185383 0.81 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL586754 0.74 NPC1 (0.49) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
Benzene SCHEMBL28160719 0.74 NPC1 (0.49) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL28626730 0.73 CYP19A1 (0.43) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL3210075 0.72 NPC1 (0.50) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL29090498 0.71 RAB9A (0.51) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL31512564 0.71 OGG1 (0.39) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL2564307 0.71 NPC1 (0.51) MAPTSMN1; SMN2NPC1RAB9ACYP1A2

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
US-20050143440-A1 Excellent hypoglycemic agents for treating hyperglycemia, dyslipidemia, hypercholesterolemia, noninsulin-dependent type II diabetes, obesity, glucose intolerance, cardiovascular diabetic complications; reduced side effects due to absence of serotonin reuptake inhibition; imidazoline receptor pathologies LES LABORATORIES SERVIER (FR) 2005-06-30 US disclosed
US-6875788-B2 Non-insulin dependent diabetes, antidiabetic agents, dietetics, antilipemic agents, anticholesterol agents, cardiovascular disorders LES LABORATOIRES SERVIER (FR) 2005-04-05 US disclosed
EP-1413579-B1 Imidazoline derivatives, process for the preparation thereof and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-02-02 EP disclosed
US-20040087638-A1 Imidazoline compounds LES LABORATOIRES SERVIER (FR) 2004-05-06 US disclosed
EP-1413579-A1 Imidazoline derivatives, process for the preparation thereof and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2004-04-28 EP 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 (2 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-20040087638-A1 Imidazoline compounds IRS1, GPR119, INSR MAPT 4618/4885SMN1; SMN2 3596/4885NPC1 36/4885
US-20050143440-A1 Excellent hypoglycemic agents for treating hyperglycemia, dyslipidemia, hypercholesterolemia, noninsulin-dependent type II diabetes, obesity, glucose intolerance, cardiovascular diabetic complications; reduced side effects due to absence of serotonin reuptake inhibition; imidazoline receptor pathologies GPR119, INSR, IRS1 MAPT 4347/4885SMN1; SMN2 4450/4885NPC1 142/4885

“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.