SCHEMBL3714790

SCHEMBL3714790

OC(c1cc(-c2ccccc2)ccn1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ SYK P43405 3/20 0.38
▸ EGFR P00533 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ COMT P21964 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PDK2 Q15119 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
SCHEMBL30559520 0.77 PLAU (0.43) PLAUFDPSEGFRNOTUMPIK3CA
SCHEMBL10719991 0.76 GCK (0.42) CETPPDK2
SCHEMBL507417 0.74 SLC6A2 (0.45) —
SCHEMBL18839547 0.74 KDM4E (0.39) —
SCHEMBL30270070 0.74 KDM4E (0.39) —
SCHEMBL20909976 0.74 UHRF1 (0.42) PLAUFDPS
SCHEMBL18839509 0.74 NOS3 (0.36) —
SCHEMBL29849938 0.74 ADRB2 (0.35) PDK2
SCHEMBL31133240 0.73 KDM4C (0.49) PIK3CA
SCHEMBL6438210 0.73 EGFR (0.47) PLAUFDPSEGFRNOTUMF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505739-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2016-11-29 — — US disclosed
US-9505739-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2016-11-29 — — US disclosed
US-9505739-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2016-11-29 — — US disclosed
US-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2015-02-05 — — US disclosed
US-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2015-02-05 — — US disclosed
US-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2015-02-05 — — US disclosed
US-8865701-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer'S disease MERCK SHARP & DOHME CORP. (US) 2014-10-21 — — US disclosed
US-8865701-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer'S disease MERCK SHARP & DOHME CORP. (US) 2014-10-21 — — US disclosed
US-8865701-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer'S disease MERCK SHARP & DOHME CORP. (US) 2014-10-21 — — US disclosed
EP-2398789-B1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 — — EP disclosed
EP-2398789-B1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 — — EP disclosed
EP-2398789-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-12-28 — — EP disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
WO-2010094242-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-08-26 — — WO disclosed
WO-2010094242-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-08-26 — — 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 (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-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP PLAU 1799/4885FDPS 567/4885SYK 3769/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP PLAU 1799/4885FDPS 567/4885SYK 3769/4885

“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.

Send feedback