SCHEMBL642913

SCHEMBL642913

Cc1ccc(-c2noc(C3CC(c4ccc(OC(F)(F)F)cc4)CN(C(=O)N4CCOCC4)C3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.59
CNR1 P21554 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL640241 0.93 F2R (0.59) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL641322 0.92 F2R (0.60) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL641719 0.91 F2R (0.59) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL642061 0.89 F2R (0.59) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL643047 0.88 F2R (0.64) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL642996 0.87 F2R (0.57) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL641385 0.87 F2R (0.57) F2RCNR1TMEM97POLBGRM5
SCHEMBL643745 0.87 F2R (0.55) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL643708 0.87 F2R (0.62) F2RCNR1TMEM97SMN1; SMN2POLB
SCHEMBL643491 0.86 CNR1 (0.56) F2RCNR1TMEM97GRM5

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-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
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 698/4885CNR1 454/4885TMEM97 1110/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CNR1 454/4885TMEM97 1110/4885

“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.