SCHEMBL643553

SCHEMBL643553

O=C(O)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3cccc(F)c3)no2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.56
CNR1 P21554 1/20 0.51
F2R P25116 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL641044 0.93 GRM5 (0.56) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL10234679 0.91 CNR1 (0.59) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL10234683 0.91 CNR1 (0.55) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL10234676 0.90 GRM5 (0.56) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL643138 0.90 GRM5 (0.53) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL3968964 0.90 GRM5 (0.53) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL10233885 0.90 GRM5 (0.70) GRM5
SCHEMBL3968968 0.89 GRM5 (0.52) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL1580656 0.89 GRM5 (0.52) GRM5CNR1F2RTMEM97L3MBTL1
SCHEMBL642333 0.89 GRM5 (0.52) GRM5CNR1F2RTMEM97L3MBTL1

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 3 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-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US 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 GRM5 1833/4885CNR1 454/4885F2R 698/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 GRM5 1833/4885CNR1 454/4885F2R 698/4885

“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.