SCHEMBL8106645

SCHEMBL8106645

CC(C)CCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.66
MC4R P32245 1/20 0.59
SIGMAR1 Q99720 3/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
KDM1A O60341 1/20 0.50

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
SCHEMBL8106831 0.98 CCR3 (0.64) CCR3MC4RSIGMAR1KDM4EMEN1
SCHEMBL14525251 0.88 MC4R (0.65) CCR3MC4RSIGMAR1KDM4EMEN1
SCHEMBL6657455 0.86 CCR3 (0.85) CCR3MC4RSIGMAR1LMNAPOLB
SCHEMBL22802250 0.84 ALDH1A1 (0.54) CCR3MEN1KMT2ALMNAPOLB
SCHEMBL22802253 0.84 ALDH1A1 (0.54) CCR3MEN1KMT2ALMNAPOLB
SCHEMBL25108460 0.84 ALDH1A1 (0.52) CCR3MEN1KMT2ALMNA
SCHEMBL22802899 0.84 ALDH1A1 (0.54) CCR3MEN1KMT2ALMNAPOLB
SCHEMBL22802249 0.84 ALDH1A1 (0.54) CCR3MEN1KMT2ALMNAPOLB
SCHEMBL6657649 0.84 CCR3 (0.82) CCR3MC4RSIGMAR1LMNAPOLB
SCHEMBL22802902 0.83 LMNA (0.59) CCR3SIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9603895-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-9221878-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-8367618-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2010-08-05 US disclosed
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 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 (3 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-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS CCR3 50/4885MC4R 4323/4885SIGMAR1 2750/4885
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, PTPRC CCR3 73/4885MC4R 4535/4885SIGMAR1 3317/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS CCR3 50/4885MC4R 4323/4885SIGMAR1 2750/4885

“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.