SCHEMBL9968831

SCHEMBL9968831

C=CCCCNC(=O)CCC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.60
FAAH O00519 2/20 0.49
CNR1 P21554 3/20 0.47
NAAA Q02083 1/20 0.47
EPHX2 P34913 2/20 0.45
SLC6A5 Q9Y345 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL15132430 0.93 CASP2 (0.67) CASP2FAAHCNR1NAAAEPHX2
SCHEMBL24481875 0.90 CASP2 (0.62) CASP2FAAHCNR1EPHX2SLC6A5
SCHEMBL22588868 0.89 FAAH (0.64) CASP2FAAHCNR1NAAAEPHX2
SCHEMBL12240644 0.88 CASP2 (0.53) CASP2FAAHCNR1NAAAEPHX2
SCHEMBL22199432 0.87 FAAH (0.67) CASP2FAAHCNR1NAAAEPHX2
SCHEMBL19621189 0.85 CNR1 (0.60) FAAHCNR1TSHRSMN1; SMN2MAPT
SCHEMBL11525698 0.85 CNR1 (0.56) CASP2FAAHCNR1NAAAEPHX2
SCHEMBL22030213 0.84 CASP2 (0.44) CASP2FAAHCNR1TSHR
SCHEMBL11323536 0.84 FAAH (0.62) FAAHCNR1EPHX2SLC6A5MAPT
SCHEMBL15199789 0.84 FAAH (0.62) FAAHCNR1EPHX2SLC6A5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115651-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS HEPION PHARMACEUTICALS, INC. (US) 2022-06-02 WO disclosed
US-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS ACHILLE LIFE SCIENCES LIMITED (GB) 2022-06-02 US disclosed
EP-3461835-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ContraVir Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed
WO-2018106928-A1 TREATMENT AND PREVENTION OF HBV DISEASES BY CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACIDES 1 AND 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2018-06-14 WO disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 US disclosed
US-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA PHARMA INC. (CA) 2013-07-25 US disclosed
WO-2012079172-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2012-06-21 WO disclosed
WO-2010012073-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA LABS INC. (CA) 2010-02-04 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 (4 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-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES CD40, FKBP1A, FKBP4 CASP2 3278/4885FAAH 82/4885CNR1 86/4885
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 CASP2 3239/4885FAAH 2178/4885CNR1 855/4885
US-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS SERPINC1, CHP1, FGB CASP2 1978/4885FAAH 3572/4885CNR1 899/4885
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 FKBP1A, CHP1, FKBP3 CASP2 3239/4885FAAH 2178/4885CNR1 855/4885

“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.