SCHEMBL16522412

SCHEMBL16522412

CC(C)CCCCn1nnc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 7/20 0.43
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TP53 P04637 1/20 0.33

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
SCHEMBL18723049 0.88 SLC9A1 (0.43) SLC9A1RAB9AUSP2FAAHMGLL
SCHEMBL16526236 0.84 SLC9A1 (0.60) SLC9A1FAAHMGLL
SCHEMBL13173782 0.80 KDM1A (0.44) SLC9A1FAAHMGLLTP53
SCHEMBL16522426 0.78 SLC9A1 (0.69) SLC9A1TSHRRAB9ANPC1P2RX7
SCHEMBL16522423 0.77 SLC9A1 (0.42) SLC9A1MGLLP2RX7
SCHEMBL12132424 0.75 KMT2A (0.43) TSHRRAB9ASMN1; SMN2P2RX7TP53
SCHEMBL12672863 0.75 SLC9A1 (0.55) SLC9A1FAAHMGLL
SCHEMBL10248342 0.73 SLC9A1 (0.69) SLC9A1TSHRRAB9ANPC1P2RX7
SCHEMBL21297115 0.71 SLC9A1 (0.39) SLC9A1FAAHMGLL
SCHEMBL8256698 0.69 SLC9A1 (0.50) SLC9A1RAB9AUSP2FAAHMGLL

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-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 — — 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 SLC9A1 3885/4885TSHR 4812/4885RAB9A 3421/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS SLC9A1 3885/4885TSHR 4812/4885RAB9A 3421/4885

“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.

Send feedback