SCHEMBL4032414

SCHEMBL4032414

Cc1ccc(C2CCCNC2)cc1N

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 1/20 0.50
HTR2A P28223 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HTR3A P46098 1/20 0.41
CHEK1 O14757 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL25558938 0.84 SLC6A2 (0.45) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20975678 0.81 BACE1 (0.47)
SCHEMBL27635029 0.81 CYP2D6 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Bromide SCHEMBL4031386 0.79 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3713659 0.79 TDP1 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL10206567 0.78 HTR2A (0.67) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26473246 0.78 HTR2A (0.67) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26473252 0.78 HTR2A (0.67) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1771575 0.77 HTR2A (0.52) HTR2A
SCHEMBL14167556 0.77 CYP2D6 (0.67) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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 8 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
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN 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
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN 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 (2 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 CYP2D6 2812/4885SLC6A2 4620/4885SLC6A4 4102/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD CYP2D6 2812/4885SLC6A2 4620/4885SLC6A4 4102/4885

“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.