SCHEMBL641095

SCHEMBL641095

CCc1ccc(C2CC(c3nc(-c4ccccc4F)no3)CN(C(=O)N3CCCC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.49
DPP4 P27487 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GRM5 P41594 3/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
HSD11B1 P28845 3/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43

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
SCHEMBL642269 0.94 F2R (0.52) F2RDPP4DPP7GRM5TP53
SCHEMBL643785 0.93 F2R (0.43) F2RDPP4DPP7GRM5TP53
SCHEMBL10234515 0.88 F2R (0.50) F2RGRM5TP53ALDH1A1LMNA
SCHEMBL642968 0.87 GRM5 (0.55) F2RGRM5HSD11B1
SCHEMBL10234506 0.87 GRM5 (0.44) F2RGRM5TP53ALDH1A1LMNA
SCHEMBL642195 0.85 F2R (0.53) F2RGRM5TP53ALDH1A1LMNA
SCHEMBL10234522 0.85 F2R (0.51) F2RGRM5TP53ALDH1A1LMNA
SCHEMBL642136 0.84 F2R (0.53) F2RGRM5LMNATSHRSMN1; SMN2
SCHEMBL642778 0.84 GRM5 (0.46) F2RGRM5TP53ALDH1A1LMNA
SCHEMBL12720284 0.84 F2R (0.49) F2RDPP4DPP7SMN1; SMN2CNR1

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 698/4885DPP4 201/4885DPP7 203/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885DPP4 201/4885DPP7 203/4885

“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.