SCHEMBL4618960

SCHEMBL4618960

CC(C)N1CCC(Oc2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.54
▸ PDE4B Q07343 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ CCR1 P32246 1/20 0.48
▸ BCL9 O00512 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ SLC6A4 P31645 1/20 0.46
▸ HTT P42858 1/20 0.45

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 0.85 SMN1; SMN2 (0.54) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4619201 0.85 SMN1; SMN2 (0.54) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8316392 0.82 SMN1; SMN2 (0.61) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4672740 0.81 HRH3 (0.51) HRH3SMN1; SMN2NPC1RAB9AKCNH2
SCHEMBL13198831 0.81 SMN1; SMN2 (0.63) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7503285 0.81 SMN1; SMN2 (0.62) HRH3PDE4BSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL23141990 0.81 LNPEP (0.55) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
Hydrochloric Acid SCHEMBL23141992 0.81 LNPEP (0.55) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4691894 0.80 HRH3 (0.61) HRH3KCNH2
SCHEMBL4035554 0.80 SMN1; SMN2 (0.72) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19

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 HRH3 2502/4885PDE4B 296/4885SMN1; SMN2 470/4885

“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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