SCHEMBL965745

SCHEMBL965745

O=C(CNc1cccc(C(F)(F)F)c1)NCC1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.55
ALDH1A1 P00352 2/20 0.53
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
GLS O94925 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CCR2 P41597 1/20 0.46
GRK2 P25098 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
IDH2 P48735 1/20 0.45

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
SCHEMBL965744 0.83 LMNA (0.55) CNR2ALDH1A1RXFP1LMNAMAPT
SCHEMBL30288260 0.74 RXFP1 (0.54) ALDH1A1PIM1RXFP1LMNAMAPT
SCHEMBL15162933 0.74 EPHX2 (0.67) ALDH1A1RXFP1CCR2LMNAMAPT
SCHEMBL30366730 0.73 ALDH1A1 (0.61) ALDH1A1GRK2LMNAMAPTXBP1
SCHEMBL4936005 0.72 CNR2 (0.71) CNR2
SCHEMBL12476496 0.72 CA12 (0.41) CNR2PIM1PIM2CCR2LMNA
SCHEMBL30288262 0.72 RXFP1 (0.61) ALDH1A1PIM1RXFP1LMNAMAPT
SCHEMBL1241128 0.72 RXFP1 (0.61) ALDH1A1PIM1RXFP1LMNAMAPT
SCHEMBL4931244 0.72 CNR2 (1.00) CNR2
SCHEMBL883366 0.72 MAPT (0.59) ALDH1A1GRK2LMNAMAPTXBP1

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR CNR2 3734/4885ALDH1A1 4491/4885PIM1 313/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR CNR2 3734/4885ALDH1A1 4491/4885PIM1 313/4885

“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.