SCHEMBL642157

SCHEMBL642157

CCc1ccc(C2CC(c3nc(-c4ccc(F)cc4F)no3)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.50
GABRA1 P14867 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
GRM5 P41594 5/20 0.41
HDAC6 Q9UBN7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL10234503 0.94 F2R (0.50) F2RGABRA1GABRA3GABRB2POLB
SCHEMBL10234547 0.92 F2R (0.51) F2RGABRA1GABRA3GABRB2POLB
SCHEMBL643123 0.91 MEN1 (0.43) F2RDPP4DPP7MEN1KMT2A
SCHEMBL642269 0.90 F2R (0.52) F2RGABRA1GABRA3GABRB2DPP4
SCHEMBL641149 0.88 F2R (0.53) F2RPOLBMEN1KMT2AALDH1A1
SCHEMBL641105 0.87 F2R (0.56) F2RGABRA1GABRA3GABRB2DPP4
SCHEMBL641718 0.87 GRM5 (0.53) F2RGRM5
SCHEMBL10234515 0.87 F2R (0.50) F2RGABRA1GABRA3GABRB2POLB
SCHEMBL642195 0.87 F2R (0.53) F2RGABRA1GABRA3GABRB2POLB
SCHEMBL12719936 0.85 F2R (0.50) F2RLMNAHTTCNR1TMEM97

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 11 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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
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
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 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
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US 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 698/4885GABRA1 876/4885GABRA3 708/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885GABRA1 876/4885GABRA3 708/4885

“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.