SCHEMBL2958610

SCHEMBL2958610

O=C(N1CCC(O)CC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3ccncc3)no2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.54
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
CNR1 P21554 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
GRM5 P41594 4/20 0.47
EPHX2 P34913 2/20 0.47
KCNH2 Q12809 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
HDAC4 P56524 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CACNA1C Q13936 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 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
SCHEMBL10234299 0.93 F2R (0.61) F2RCNR1TMEM97GRM5
SCHEMBL642711 0.92 F2R (0.54) F2RLMNASMN1; SMN2TSHRCNR1
SCHEMBL1581268 0.91 F2R (0.53) F2RLMNASMN1; SMN2CNR1TMEM97
SCHEMBL642761 0.91 F2R (0.55) F2RLMNASMN1; SMN2TSHRCNR1
SCHEMBL640750 0.90 F2R (0.55) F2RLMNASMN1; SMN2TSHRCNR1
SCHEMBL640749 0.88 GRM5 (0.54) F2RGRM5
SCHEMBL641670 0.87 GRM5 (0.67) F2RGRM5
SCHEMBL10234315 0.85 F2R (0.56) F2RCNR1TMEM97GRM5EPHX2
SCHEMBL641292 0.85 F2R (0.63) F2RLMNACNR1TMEM97GRM5
SCHEMBL1581326 0.85 FAAH (0.52) F2RGRM5

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 9 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
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
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 698/4885LMNA 217/4885SMN1; SMN2 3347/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885LMNA 217/4885SMN1; SMN2 3347/4885

“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.