SCHEMBL4516730

SCHEMBL4516730

O=C(O)[C@H]1CCC(c2cc(F)cc(F)c2)=N1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
FFAR2 O15552 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL4516734 1.00 APAF1 (0.33) APAF1POLBGRK2APOBEC3GPRKAG1
SCHEMBL20835431 0.90 GRM4 (0.39) PRKAG1PRKAA2PRKAB1
SCHEMBL933170 0.84 HCAR2 (0.40) FFAR2
SCHEMBL5885783 0.83 POLB (0.49) APAF1POLBGRK2APOBEC3GPRKAG1
SCHEMBL9542642 0.77 RAB9A (0.39) PRKAG1PRKAA2PRKAB1CHRNB4CHRNA3
SCHEMBL14328250 0.77 RAB9A (0.39) PRKAG1PRKAA2PRKAB1CHRNB4CHRNA3
SCHEMBL20835774 0.76 KMO (0.43) PRKAG1PRKAA2PRKAB1
SCHEMBL4507563 0.75 CYP11B1 (0.33) POLB
SCHEMBL4507568 0.75 CYP11B1 (0.33) POLB
SCHEMBL4520128 0.75 KIF11 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed
CN-109476639-A Pyrrolidin derivatives 橘生药品工业股份有限公司 2019-03-15 CN disclosed
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (4 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR APAF1 3416/4885POLB 2693/4885GRK2 245/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR APAF1 3416/4885POLB 2693/4885GRK2 245/4885
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 APAF1 2516/4885POLB 2302/4885GRK2 1695/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 APAF1 2516/4885POLB 2302/4885GRK2 1695/4885

“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.