SCHEMBL2807564

SCHEMBL2807564

CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.36
CNR2 P34972 4/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
BDKRB1 P46663 1/20 0.36
OPRL1 P41146 1/20 0.35
CNR1 P21554 2/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GHSR Q92847 1/20 0.35
POLB P06746 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
GRM2 Q14416 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
SCHEMBL184742 0.86 CYP3A4 (0.40) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL185221 0.84 ALDH1A1 (0.38) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL13128425 0.80 BDKRB1 (0.48) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2808499 0.80 ALDH1A1 (0.40) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14865447 0.80 ALDH1A1 (0.36) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2812345 0.79 POLB (0.43) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL185133 0.79 CNR2 (0.41) ALDH1A1CNR2CNR1POLB
SCHEMBL186467 0.79 AR (0.41) LMNAALDH1A1CNR2BDKRB1CNR1
SCHEMBL185483 0.77 OPRL1 (0.38) LMNAALDH1A1CNR2BDKRB1OPRL1
SCHEMBL185881 0.76 OPRL1 (0.37) LMNAALDH1A1CNR2BDKRB1OPRL1

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885ALDH1A1 1000/4885CYP3A4 467/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885ALDH1A1 1000/4885CYP3A4 467/4885

“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.