SCHEMBL92713

SCHEMBL92713

O=C(O)CNC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
BCHE P06276 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ACHE P22303 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR6 P50406 1/20 0.56
PDPK1 O15530 1/20 0.53
EPHX2 P34913 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL30341899 1.00 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3932599 1.00 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL2467861 1.00 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL11145013 0.98 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
Hydrochloric Acid SCHEMBL5969990 0.98 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL11145021 0.98 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL5901234 0.91 HTT (0.61) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL5963105 0.87 MAOA (0.45) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL7144288 0.86 SCN3A (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL7144293 0.86 SCN3A (0.56) MAOAMAOBBCHEADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 EP claimed
CN-107445852-A Preparation method of D-indanyl glycine 浙江工业大学 2017-12-08 CN claimed
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 EP claimed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US claimed
CN-102105485-B Selectivity caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2016-01-13 CN claimed
US-9090658-B2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2015-07-28 US claimed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US claimed
WO-2014177406-A1 COMPOSITION COMPRISING AT LEAST THREE ACTIVE AGENTS FOR COLOURING AND/OR PIGMENTING KERATIN MATERIALS L'OREAL (FR) 2014-11-06 WO claimed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 US claimed
EP-2697246-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF Novagenesis Foundation (CH) 2014-02-19 EP claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US claimed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US claimed
US-5811241-A ATTACHING N-PROTECTED ALPHA-AMINO ACID TO POLYMERIC SUPPORT; DEPROTECTING; REDUCTIVE ALKYLATION; BROMOACETYLATION; REACTING WITH PRIMARY AMINE; CYCLIZATION; CLEAVAGE; FOR SYNTHESIZING COMBINATORIAL LIBRARIES CORTECH, INC. (US) 1998-09-22 US claimed
EP-0813544-A4 1998-01-07 EP claimed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP claimed
WO-1997010222-A1 METHOD FOR PREPARING PIPERAZINES CORTECH, INC. (US) 1997-03-20 WO claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 WO claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 MAOA 178/4885MAOB 361/4885BCHE 359/4885

“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.