SCHEMBL16522425

SCHEMBL16522425

Cc1nnnn1CCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
MAPK1 P28482 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
IDE P14735 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6110896 0.86 IDE (0.41) P2RX7MAPK1PSEN1PSEN2APH1B
SCHEMBL2088514 0.79 P2RX7 (0.46) P2RX7MAPK1KMT2ALMNAALDH1A1
SCHEMBL18723231 0.78 P2RX7 (0.41) P2RX7MAPK1KMT2AALDH1A1MEN1
SCHEMBL2092215 0.77 SLC9A1 (0.45) P2RX7MAPK1KMT2AALDH1A1MEN1
SCHEMBL2091620 0.76 KMT2A (0.47) P2RX7MAPK1KMT2ALMNAALDH1A1
SCHEMBL18526533 0.75 CYP1A2 (0.45) P2RX7MAPK1PSEN1PSEN2APH1B
SCHEMBL6481035 0.75 P2RX7 (0.42) P2RX7MAPK1PSEN1PSEN2APH1B
SCHEMBL4410876 0.74 MAPK1 (0.43) P2RX7MAPK1KMT2ALMNAALDH1A1
SCHEMBL10974169 0.71 MAPK1 (0.46) P2RX7MAPK1LMNAALDH1A1TSHR
SCHEMBL2088828 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669095-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed
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 P2RX7 1240/4885MAPK1 3581/4885PSEN1 4367/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS P2RX7 1240/4885MAPK1 3581/4885PSEN1 4367/4885

“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.