SCHEMBL6184485

SCHEMBL6184485

C=C1C[C@@H](C(=O)CC#N)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5765666 0.84 SMN1; SMN2 (0.49) PREPNPSR1PSEN1PSEN2APH1B
SCHEMBL5765672 0.84 SMN1; SMN2 (0.49) PREPNPSR1PSEN1PSEN2APH1B
SCHEMBL5765432 0.81 PSEN1 (0.42) PREPNPSR1PSEN1PSEN2APH1B
SCHEMBL5765424 0.81 PSEN1 (0.42) PREPNPSR1PSEN1PSEN2APH1B
SCHEMBL202453 0.80 NPSR1 (0.48) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL202452 0.80 NPSR1 (0.48) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL4054800 0.78 PREP (0.54) PREPNPSR1KMT2AHSD17B10
SCHEMBL12608462 0.77 HTR2C (0.44) PREPNPSR1PSEN1PSEN2APH1B
SCHEMBL14496579 0.77 HTR2C (0.44) PREPNPSR1PSEN1PSEN2APH1B
SCHEMBL6182729 0.77 POLB (0.47) PREPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PREP 24/4885NPSR1 1833/4885PSEN1 548/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PREP 24/4885NPSR1 1833/4885PSEN1 548/4885

“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.