SCHEMBL3971571

SCHEMBL3971571

COCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C=O)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.46
CNR1 P21554 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
TRPA1 O75762 3/20 0.39
KAT2B Q92831 1/20 0.34
SCN5A Q14524 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCD5 Q86SK9 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
PDE2A O00408 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
GRM2 Q14416 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL2954870 0.92 F2R (0.46) F2RCNR1TMEM97TRPA1KAT2B
SCHEMBL2963821 0.86 F2R (0.50) F2RCNR1TMEM97TRPA1KAT2B
SCHEMBL15261923 0.85 F2R (0.44) F2RCNR1TMEM97TRPA1KAT2B
Hydrochloric Acid SCHEMBL3973429 0.85 F2R (0.49) F2RCNR1TMEM97TRPA1KAT2B
SCHEMBL2965835 0.83 F2R (0.48) F2RCNR1TMEM97TRPA1KAT2B
Hydrochloric Acid SCHEMBL3974288 0.83 F2R (0.47) F2RCNR1TMEM97TRPA1KAT2B
SCHEMBL3971593 0.82 F2R (0.65) F2RCNR1TMEM97TRPA1KAT2B
SCHEMBL641766 0.82 F2R (0.59) F2RCNR1TMEM97TRPA1SCD5
SCHEMBL3964413 0.81 HTT (0.36) F2RCNR1TMEM97TRPA1GRM2
SCHEMBL3969596 0.81 F2R (0.47) F2RCNR1TMEM97MEN1KMT2A

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 2 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-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 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.