SCHEMBL16526337

SCHEMBL16526337

CC(C)CCCCn1cnc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.69
▸ ADORA1 P30542 6/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ PI4KA P42356 3/20 0.59
▸ PI4K2B Q8TCG2 3/20 0.59
▸ PI4K2A Q9BTU6 3/20 0.59
▸ PI4KB Q9UBF8 3/20 0.59
▸ ADCY5 O95622 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NSD3 Q9BZ95 1/20 0.52
▸ AHCY P23526 1/20 0.51

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
SCHEMBL23513431 0.96 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19841 0.90 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1740530 0.88 ADORA2A (0.67) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13223800 0.84 ADORA2A (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4551803 0.84 ADORA2A (0.91) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL28228476 0.82 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21469779 0.82 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1741560 0.82 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23228230 0.82 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL28176129 0.82 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 5 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

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

For each of this compound's patents that has machine-readable text (2 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 ADORA2A 2931/4885ADORA1 3172/4885ADORA2B 3857/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS ADORA2A 2931/4885ADORA1 3172/4885ADORA2B 3857/4885

“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.

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