SCHEMBL4036295

SCHEMBL4036295

Cc1cccc(OCC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)O)c3)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
TP53 P04637 1/20 0.69
MAPT P10636 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
BCL9 O00512 15/20 0.65
CTNNB1 P35222 15/20 0.65
PPARA Q07869 1/20 0.64
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4032481 0.88 PPARA (0.74) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4035897 0.88 PPARA (0.61) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4032483 0.88 PPARA (0.74) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4027692 0.88 PPARA (0.63) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4026668 0.87 PPARA (0.62) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4026667 0.87 PPARA (0.62) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4034259 0.87 PPARA (0.62) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4034792 0.87 PPARA (0.75) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4028273 0.86 PPARA (0.79) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL4026925 0.86 PPARA (0.79) NPC1TP53MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070281935-A1 Use PFIZER INC. (US) 2007-12-06 US disclosed
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants GOETZE LEOPOLD F 2007-10-04 US disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1765320-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS Pfizer Products Incorporated (US) 2007-03-28 EP disclosed
EP-1753426-A2 RUMINANT TREATMENTS Pfizer Products Incorporated (US) 2007-02-21 EP disclosed
WO-2005115389-A2 SPECIFIC PPAR AGONISTS FOR TREATING NEGATIVE ENERGY BALANCE PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
WO-2005115369-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD NPC1 199/4885TP53 3598/4885MAPT 3126/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD NPC1 199/4885TP53 3598/4885MAPT 3126/4885
US-20070281935-A1 Use ALPP, CPT1A, PIGS NPC1 1014/4885TP53 418/4885MAPT 921/4885
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants PPARG, PPARD, PPARA NPC1 1996/4885TP53 257/4885MAPT 1443/4885

“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.