SCHEMBL10226325

SCHEMBL10226325

CC(C)(C)CCCCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.65
CXCR4 P61073 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
MAOB P27338 3/20 0.43
MAPT P10636 1/20 0.42
HRH1 P35367 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30701394 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13293933 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523784 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523768 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL10032114 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13293936 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523782 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13602667 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523767 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13293934 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-20150111815-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS S & T GLOBAL INC (US) 2015-04-23 US disclosed
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2013-11-14 US disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 US disclosed
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-08-09 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7247644-B2 Ester derivatives of a decahydroisoquinoline-3-carboxylic acid as analgestics ELI LILLY AND COMPANY (US) 2007-07-24 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-7157582-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2007-01-02 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 (9 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-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS HRH3 3637/4885CXCR4 465/4885SIGMAR1 2898/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B HRH3 4818/4885CXCR4 3546/4885SIGMAR1 2494/4885
US-20150111815-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TSLP, HLA-DRB1 HRH3 3834/4885CXCR4 654/4885SIGMAR1 3056/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 HRH3 467/4885CXCR4 2505/4885SIGMAR1 323/4885
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR1H2 HRH3 536/4885CXCR4 394/4885SIGMAR1 276/4885
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 HRH3 565/4885CXCR4 788/4885SIGMAR1 332/4885
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS HRH3 3637/4885CXCR4 465/4885SIGMAR1 2898/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT HRH3 2934/4885CXCR4 1479/4885SIGMAR1 1229/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 HRH3 1043/4885CXCR4 1406/4885SIGMAR1 633/4885

“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.