SCHEMBL13209751

SCHEMBL13209751

CON(C)C(=O)c1noc2c(F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 9/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24174035 0.80 SSTR4 (0.43) SSTR4TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13209752 0.78 SSTR4 (0.43) SSTR4TP53SMN1; SMN2
SCHEMBL6524520 0.77 HIF1A (0.51) TP53SMN1; SMN2
SCHEMBL13209719 0.76 SSTR4 (0.41) SSTR4TP53SMN1; SMN2
SCHEMBL13209721 0.74 HTT (0.47) MLYCDLMNAKMT2A
SCHEMBL13209973 0.73 TRPM8 (0.39) TRPM8ALDH1A1LMNAKMT2A
SCHEMBL13209745 0.73 FAAH (0.40) TRPM8TP53SMN1; SMN2ALDH1A1
SCHEMBL14158209 0.73 KDM4E (0.38) TRPM8SMN1; SMN2MLYCDLMNAKMT2A
SCHEMBL15237484 0.72 SSTR4 (0.38) SSTR4TP53SMN1; SMN2
SCHEMBL16485994 0.71 TDP1 (0.51) TRPM8MLYCDALDH1A1LMNAKMT2A

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-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
EP-1836201-B1 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2010-08-11 EP disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 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 (3 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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 SSTR4 4060/4885TRPM8 4355/4885GPBAR1 4139/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 SSTR4 4060/4885TRPM8 4355/4885GPBAR1 4139/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 SSTR4 4060/4885TRPM8 4355/4885GPBAR1 4139/4885

“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.