SCHEMBL3711484

SCHEMBL3711484

COCOc1c(I)cccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
PTPN1 P18031 1/20 0.44
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
APP P05067 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 3/20 0.36

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
SCHEMBL28586196 0.86 SMN1; SMN2 (0.65) SMN1; SMN2PTPN1MAPK1TSHRL3MBTL1
SCHEMBL30350539 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL4156068 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL3671710 0.79 SMN1; SMN2 (0.55) SMN1; SMN2PTPN1MAPK1TSHRL3MBTL1
SCHEMBL7942502 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PTPN1MAPK1TSHRL3MBTL1
SCHEMBL7567008 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PTPN1MAPK1TSHRL3MBTL1
SCHEMBL3713210 0.77 SMN1; SMN2 (0.59) SMN1; SMN2MAPK1TSHRL3MBTL1POLB
SCHEMBL26586940 0.77 SMN1; SMN2 (0.59) SMN1; SMN2MAPK1TSHRL3MBTL1POLB
SCHEMBL2046409 0.77 SMN1; SMN2 (0.44) SMN1; SMN2PTPN1MAPK1TSHRL3MBTL1
SCHEMBL29403193 0.76 APP (0.39) SMN1; SMN2PTPN1TSHRL3MBTL1POLB

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 SMN1; SMN2 2299/4885PTPN1 3646/4885MAPK1 2490/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP SMN1; SMN2 2299/4885PTPN1 3646/4885MAPK1 2490/4885

“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.