SCHEMBL6326343

SCHEMBL6326343

CC(C)c1ccc(CCC(=O)CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
FKBP1A P62942 1/20 0.50
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
FAAH O00519 1/20 0.44
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
F2RL1 P55085 1/20 0.42
USP5 P45974 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL11243649 0.89 L3MBTL1 (0.57) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL11396427 0.84 L3MBTL1 (0.57) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL28891255 0.82 L3MBTL1 (0.51) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL30799220 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL11176136 0.81 PLAAT3 (0.50) ALDH1A1L3MBTL1RAB9AHTTMEN1
SCHEMBL11179937 0.79 TDP1 (0.61) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL1509248 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL879572 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL10625384 0.79 RXRA (0.59) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2
SCHEMBL13227203 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1FKBP1ARAB9ASMN1; SMN2

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 7 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
EP-0871614-A1 ALPHA-(SUBSTITUTED ALKYLPHENYL)-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINE BUTANOL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-HISTAMINES, ANTI-ALLERGY AGENTS AND BRONCHODILATORS HOECHST MARION ROUSSEL, INC. (US) 1998-10-21 EP disclosed
CN-1183769-A Alpha -(substd. alkylphenyl) -4 -(hydroxy -diphenylmethyl) -1 -piperidine butanol derivs., their preparation and their use as anti-histamines, anti-allergy agents and bronchodilators HOECHST MARION ROUSSEL INC (US) 1998-06-03 CN disclosed
WO-1996035667-A1 ALPHA-(SUBSTITUTED ALKYLPHENYL)-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINE BUTANOL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-HISTAMINES, ANTI-ALLERGY AGENTS AND BRONCHODILATORS Hoescht Marion Roussel, Inc. (US) 1996-11-14 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 (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 ALDH1A1 281/4885L3MBTL1 4469/4885FKBP1A 2471/4885
US-20020016467-A1 Novel 4-diphenylmethyl piperdine derivatives HRH4, HRH2, HRH1 ALDH1A1 292/4885L3MBTL1 4425/4885FKBP1A 2328/4885
US-20050239834-A1 Novel 4-diphenylmethyl piperidine derivatives HRH4, HRH2, HRH1 ALDH1A1 281/4885L3MBTL1 4469/4885FKBP1A 2471/4885
US-20030065186-A1 Novel 4-diphenylethyl piperidine derivatives HRH4, HRH2, HRH1 ALDH1A1 303/4885L3MBTL1 4465/4885FKBP1A 2857/4885

“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.