SCHEMBL4619201

SCHEMBL4619201

O=C(OCc1ccccc1)N1CCC(c2ccc(OC3CCNCC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ PDE4B Q07343 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HRH1 P35367 3/20 0.51
▸ GRIN2B Q13224 4/20 0.48
▸ CHRM4 P08173 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NMT1 P30419 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL31198846 0.96 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL3577152 0.85 HRH1 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HRH1
SCHEMBL4618960 0.85 HRH3 (0.54) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL7503285 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL4035554 0.83 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL8316392 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL15747803 0.82 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL30963412 0.82 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6749001 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL13198831 0.81 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APDE4BCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883636-A1 SUBSTITUTED PIPERIDINE ANTAGONIST OF HI RECEPTOR TO BE USED FOR THE TREATMENT OF RHINITIS GLAXO GROUP LIMITED (GB) 2008-02-06 — — EP disclosed
US-20060293298-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-12-28 — — US disclosed
WO-2006125665-A1 SUBSTITUTED PIPERIDINE ANTAGONIST OF HI RECEPTOR TO BE USED FOR THE TREATMENT OF RHINITIS GLAXO GROUP LIMITED (GB) 2006-11-30 — — 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-20060293298-A1 Compounds NQO1, OPRM1, CAT SMN1; SMN2 470/4885NPC1 10/4885RAB9A 1453/4885

“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.

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