SCHEMBL7917387

SCHEMBL7917387

O=C1CCCc2nc3c(cc21)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.42
PRKCI P41743 1/20 0.42
CDC25B P30305 1/20 0.41
GRM5 P41594 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL25717313 0.81 ALOX15 (0.40) MEN1KMT2ANPSR1ALOX15GAA
SCHEMBL31121556 0.79 GAA (0.41) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL11729324 0.79 SMN1; SMN2 (0.48) ALOX15GAASMN1; SMN2NPC1TSHR
SCHEMBL12507659 0.79 SMN1; SMN2 (0.48) ALOX15GAASMN1; SMN2NPC1TSHR
SCHEMBL12507660 0.79 SMN1; SMN2 (0.48) MEN1MAPK1KMT2AALOX15GAA
SCHEMBL528472 0.77 GAA (0.42) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL10144361 0.76 PRNP (0.50) MEN1MAPK1KMT2AALOX15GAA
SCHEMBL529327 0.76 SMN1; SMN2 (0.50) MEN1KMT2AALOX15GAASMN1; SMN2
SCHEMBL26862736 0.74 MAOA (0.45) MEN1KMT2AMAOAMAOBCYP2A6
SCHEMBL25945154 0.73 MEN1 (0.70) MEN1MAPK1KMT2ANPSR1MAOA

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 10 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-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
EP-2398789-B1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 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
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 MEN1 1585/4885MAPK1 2490/4885KMT2A 4072/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP MEN1 1585/4885MAPK1 2490/4885KMT2A 4072/4885

“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.