SCHEMBL6329151

SCHEMBL6329151

CC(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 7/20 0.62
▸ KCNH2 Q12809 5/20 0.62
▸ LMNA P02545 3/20 0.62
▸ DRD3 P35462 3/20 0.62
▸ HTR2A P28223 2/20 0.62
▸ HTR2B P41595 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ DRD2 P14416 2/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ CYP2J2 P51589 6/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ CACNA1F O60840 1/20 0.61
▸ GMNN O75496 1/20 0.61
▸ USP2 O75604 1/20 0.61

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
SCHEMBL6328247 0.88 KCNH2 (0.63) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL6327395 0.87 KCNH2 (0.77) HRH1KCNH2LMNADRD3HTR2A
Methane SCHEMBL14121758 0.86 KCNH2 (0.75) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL6456656 0.85 HRH1 (0.62) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11401175 0.85 KCNH2 (0.57) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL9285028 0.85 HRH1 (0.65) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL7932403 0.85 HRH1 (0.65) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL9285031 0.85 HRH1 (0.65) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL8901418 0.84 HRH1 (0.65) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL7689124 0.84 HRH1 (0.64) HRH1KCNH2LMNADRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239834-A1 Novel 4-diphenylmethyl piperidine derivatives AVENTIS PHARMACEUTICALS INC. (US) 2005-10-27 — — US disclosed
US-20040167169-A1 Novel 4-diphenylmethyl piperidine derivatives AVENTIS PHARMACEUTICALS INC. 2004-08-26 — — US disclosed
US-20030065186-A1 Novel 4-diphenylethyl piperidine derivatives LING KAH HIING (US) 2003-04-03 — — US disclosed
US-20020016467-A1 Novel 4-diphenylmethyl piperdine derivatives LING KAH HIING (US) 2002-02-07 — — 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 (4 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-20040167169-A1 Novel 4-diphenylmethyl piperidine derivatives HRH4, HRH2, HRH1 HRH1 3/4885KCNH2 443/4885LMNA 4788/4885
US-20020016467-A1 Novel 4-diphenylmethyl piperdine derivatives HRH4, HRH2, HRH1 HRH1 3/4885KCNH2 553/4885LMNA 4739/4885
US-20050239834-A1 Novel 4-diphenylmethyl piperidine derivatives HRH4, HRH2, HRH1 HRH1 3/4885KCNH2 443/4885LMNA 4788/4885
US-20030065186-A1 Novel 4-diphenylethyl piperidine derivatives HRH4, HRH2, HRH1 HRH1 3/4885KCNH2 348/4885LMNA 4787/4885

“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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