SCHEMBL6184476

SCHEMBL6184476

CC(CCNC(=O)C1CCNCC1)CC(=O)NCC#N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
PREP P48147 1/20 0.39
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 5/20 0.35
CTSB P07858 4/20 0.35
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
EPHX2 P34913 2/20 0.33
F2 P00734 1/20 0.32
F7 P08709 1/20 0.32
ITGB3 P05106 5/20 0.32
ITGA2B P08514 5/20 0.32
F2R P25116 5/20 0.32
POLB P06746 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
SCHEMBL13746181 0.76 GNAI3 (0.58) GNAI3GNAO1GNAI1HSD17B10ALDH1A1
SCHEMBL6183060 0.75 CTSB (0.40) SMN1; SMN2CTSKCTSBCTSSCTSL
SCHEMBL7449899 0.75 GGPS1 (0.36) CTSKCTSBCTSSCTSL
SCHEMBL7451077 0.72 HDAC3 (0.45) SMN1; SMN2EPHX2F2F7
SCHEMBL17468960 0.70 CTSK (0.41) CTSKCTSBCTSSCTSL
SCHEMBL6184474 0.68 CTSL (0.51) CTSKCTSBCTSSCTSL
SCHEMBL1438745 0.68 GNAI3 (0.73) GNAI3GNAO1GNAI1PREPHSD17B10
SCHEMBL4634174 0.68 HSD17B10 (0.51) GNAI3GNAO1GNAI1HSD17B10ALDH1A1
SCHEMBL8247945 0.67
SCHEMBL18390119 0.67 GNAI3 (0.54) GNAI3GNAO1GNAI1HSD17B10ALDH1A1

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 GNAI3 3047/4885GNAO1 2451/4885GNAI1 3051/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GNAI3 3047/4885GNAO1 2451/4885GNAI1 3051/4885

“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.