Sugi Predict

Sugi Predict / Compounds / SCHEMBL1053971

SCHEMBL1053971

SCHEMBL1053971

CCOc1noc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCSCC3)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 10/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PROKR1 Q8TCW9 2/20 0.35
▸ FASN P49327 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL1053095 0.94 F2R (0.46) F2RCNR1TMEM97KMT2A
SCHEMBL1076525 0.90 F2R (0.53) F2RCNR1TMEM97LMNAGAA
SCHEMBL1051471 0.90 F2R (0.46) F2RCNR1TMEM97KMT2A
SCHEMBL1054933 0.90 F2R (0.59) F2RCNR1TMEM97KMT2A
SCHEMBL1050091 0.90 F2R (0.53) F2RCNR1TMEM97LMNAGAA
SCHEMBL1053942 0.90 F2R (0.46) F2RCNR1TMEM97SMN1; SMN2KMT2A
SCHEMBL1050092 0.89 F2R (0.60) F2RCNR1TMEM97LMNAGAA
SCHEMBL1053729 0.88 F2R (0.46) F2RCNR1TMEM97LMNAGAA
SCHEMBL1054143 0.88 F2R (0.42) F2RCNR1TMEM97KMT2AEPHX2
SCHEMBL1051449 0.88 F2R (0.38) F2RCNR1TMEM97LMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 — — US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 — — US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 — — US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 — — US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 — — US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — US disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885

“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.