SCHEMBL832433

SCHEMBL832433

CCCCN1CCNC(=O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.39
ALOX15 P16050 1/20 0.38
PLA2G2A P14555 1/20 0.36
GRM5 P41594 1/20 0.35
PARP1 P09874 1/20 0.35
ALOX5 P09917 2/20 0.33
CDC7 O00311 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11188690 0.95 MEN1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11047867 0.93 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13624432 0.89 KMT2A (0.43) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL11388691 0.84 KDM4E (0.38) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL148599 0.82 KMT2A (0.63) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1277501 0.80 MEN1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8603146 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL28569637 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27866702 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRFAAH
Methylene Chloride SCHEMBL28533175 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRFAAH

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1855679-B1 AMINOMETHYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2016-06-29 EP disclosed
EP-1855679-B1 AMINOMETHYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2016-06-29 EP disclosed
US-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
EP-2077719-B1 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
US-7820674-B2 Aminomethyl beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2010-10-26 US disclosed
US-7820674-B2 Aminomethyl beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2010-10-26 US disclosed
US-7820674-B2 Aminomethyl beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2010-10-26 US disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 US disclosed
EP-2077719-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck and Co., Inc. (US) 2009-07-15 EP disclosed
US-20080153846-A1 Aminomethyl Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-06-26 US disclosed
WO-2006078576-A2 AMINOMETHYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-07-27 WO disclosed
WO-2006078576-A2 AMINOMETHYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-07-27 WO disclosed
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 EP disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP 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-20080153846-A1 Aminomethyl Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 MEN1 2333/4885KMT2A 888/4885ALDH1A1 1984/4885
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 MEN1 3330/4885KMT2A 2789/4885ALDH1A1 624/4885

“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.