SCHEMBL9968526

SCHEMBL9968526

C=CCCC(=O)NCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
FAAH O00519 2/20 0.47
CASP2 P42575 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
NAAA Q02083 1/20 0.41
EPHX2 P34913 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
SCHEMBL19621189 0.88 CNR1 (0.60) CNR1FAAHALDH1A1TSHRSMN1; SMN2
SCHEMBL11525698 0.88 CNR1 (0.56) CNR1FAAHCASP2MAPTNAAA
SCHEMBL13938722 0.87 MAPT (0.48) CNR1FAAHCASP2ALDH1A1TSHR
SCHEMBL18926538 0.85 ALDH1A1 (0.62) CNR1FAAHALDH1A1MAPTEPHX2
SCHEMBL13869001 0.85 ALDH1A1 (0.62) CNR1FAAHALDH1A1MAPTEPHX2
SCHEMBL22856074 0.85 MAPT (0.46) CNR1FAAHCASP2ALDH1A1TSHR
SCHEMBL12240644 0.83 CASP2 (0.53) CNR1FAAHCASP2TSHRSMN1; SMN2
SCHEMBL11525869 0.83
SCHEMBL13528442 0.81 CNR1 (0.53) CNR1FAAHALDH1A1TSHRSMN1; SMN2
SCHEMBL26728693 0.80 CNR1 (0.41) CNR1FAAHALDH1A1TSHRSMN1; SMN2

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 12 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
US-4179292-A Light-sensitive copying composition HOECHST AKTIENGESELLSCHAFT (DE) 1979-12-18 US 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 CNR1 86/4885FAAH 82/4885CASP2 3278/4885
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 CNR1 855/4885FAAH 2178/4885CASP2 3239/4885
US-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS SERPINC1, CHP1, FGB CNR1 899/4885FAAH 3572/4885CASP2 1978/4885
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 FKBP1A, CHP1, FKBP3 CNR1 855/4885FAAH 2178/4885CASP2 3239/4885

“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.