SCHEMBL641146

SCHEMBL641146

N#CC1CCN(C(=O)N2CC(C(=O)O)CC(c3cccc(OC(F)(F)F)c3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.58
NOTUM Q6P988 1/20 0.48
HSD11B1 P28845 1/20 0.42
MGLL Q99685 5/20 0.41
USP30 Q70CQ3 2/20 0.40
DPP4 P27487 1/20 0.40
BCL9 O00512 2/20 0.39
CTNNB1 P35222 2/20 0.39
CNR1 P21554 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
FAAH O00519 1/20 0.38
HCRTR2 O43614 2/20 0.38

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
SCHEMBL640741 0.91 F2R (0.56) F2RNOTUMHSD11B1MGLLUSP30
SCHEMBL641049 0.90 NOTUM (0.50) F2RNOTUMHSD11B1MGLLBCL9
SCHEMBL641261 0.89 F2R (0.69) F2RNOTUMHSD11B1MGLLCNR1
SCHEMBL640799 0.86 F2R (0.55) F2RNOTUMHSD11B1
SCHEMBL642568 0.86 NOTUM (0.47) F2RNOTUMMGLLBCL9CTNNB1
SCHEMBL1581804 0.83 F2R (0.54) F2RHSD11B1MGLLUSP30DPP4
SCHEMBL10234617 0.81 F2R (0.64) F2RHSD11B1MGLLUSP30DPP4
SCHEMBL640578 0.80 F2R (0.45) F2RNOTUMHSD11B1MGLLBCL9
SCHEMBL640933 0.80 F2R (0.65) F2RHSD11B1MGLLCNR1TMEM97
SCHEMBL486495 0.79 F2R (0.69) F2RNOTUMHSD11B1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885NOTUM 2328/4885HSD11B1 1919/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885NOTUM 2328/4885HSD11B1 1919/4885

“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.