SCHEMBL3782495

SCHEMBL3782495

O=C(OCc1ccccc1)N1CCC(CCC2(C(=O)OCc3ccccc3)CCCC2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 1/20 0.50
GRIN2B Q13224 10/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
FAAH O00519 1/20 0.47
HTT P42858 1/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHRM4 P08173 2/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL1044762 0.93 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3776399 0.90 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3788783 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1043158 0.82 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL15140566 0.78 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1042956 0.77 NPC1 (0.38) SMN1; SMN2NPC1RAB9A
SCHEMBL21551518 0.77 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3779088 0.76 DDB1 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19CYP2C9
SCHEMBL3776673 0.76 CPB2 (0.40) SMN1; SMN2CYP2C19
SCHEMBL21553751 0.76 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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 (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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R SMN1; SMN2 3384/4885NPC1 1976/4885RAB9A 3519/4885

“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.