SCHEMBL640750

SCHEMBL640750

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3ccncc3)no2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
ALOX12 P18054 1/20 0.48
CNR1 P21554 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
GRM5 P41594 3/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.43
EPHX2 P34913 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC4 P56524 1/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL643869 0.93 F2R (0.62) F2RSMN1; SMN2POLBALOX12CNR1
SCHEMBL642774 0.91 F2R (0.53) F2RSMN1; SMN2POLBALOX12CNR1
SCHEMBL2958610 0.90 F2R (0.54) F2RSMN1; SMN2CNR1TMEM97GRM5
SCHEMBL641719 0.90 F2R (0.59) F2RSMN1; SMN2POLBALOX12CNR1
SCHEMBL642761 0.88 F2R (0.55) F2RSMN1; SMN2CNR1TMEM97GRM5
SCHEMBL644270 0.88 F2R (0.53) F2RSMN1; SMN2POLBALOX12CNR1
SCHEMBL642841 0.87 GRM5 (0.54) F2RGRM5
SCHEMBL10234480 0.87 F2R (0.53) F2RSMN1; SMN2POLBALOX12CNR1
SCHEMBL643007 0.86 F2R (0.59) F2RSMN1; SMN2POLBCNR1TMEM97
SCHEMBL1082434 0.85 F2R (0.56) F2RSMN1; SMN2POLBALOX12CNR1

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
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
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 698/4885SMN1; SMN2 3347/4885POLB 1108/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885SMN1; SMN2 3347/4885POLB 1108/4885

“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.