SCHEMBL16618965

SCHEMBL16618965

OCCNc1c2n(c3ccc(C(F)(F)F)cc13)CCOC2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL16620163 0.73 LMNA (0.38) KCNK3ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL16629549 0.64 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1KDM4ELMNA
SCHEMBL17604064 0.62 CDK1 (0.61) SMN1; SMN2L3MBTL1RAB9ALMNA
SCHEMBL11611131 0.62 MEN1 (0.63) ALDH1A1SMN1; SMN2POLBRAB9ALMNA
SCHEMBL18202353 0.59 PER2 (0.40) KCNK3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31487078 0.58 PER2 (0.38) KCNK3
SCHEMBL22163952 0.58 MAPT (0.55) ALDH1A1SMN1; SMN2POLBL3MBTL1RAB9A
SCHEMBL16883497 0.58 VDR (0.49) ALDH1A1POLBLMNA
SCHEMBL8102983 0.57 MAPT (0.53) ALDH1A1SMN1; SMN2L3MBTL1RAB9ABRAF
SCHEMBL9588885 0.57 MAOB (0.39) ALDH1A1POLBRAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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 (1 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 KCNK3 2966/4885ALDH1A1 1923/4885SMN1; SMN2 1127/4885

“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.