SCHEMBL6183501

SCHEMBL6183501

CC(C)CCN(C(=O)NCC#N)C(=O)C1CCN(Cc2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
CTSS P25774 8/20 0.36
CTSK P43235 5/20 0.36
USP30 Q70CQ3 1/20 0.35
CTSB P07858 7/20 0.34
CTSL P07711 6/20 0.34
ACKR3 P25106 2/20 0.33
CHRM4 P08173 1/20 0.33
PTPRB P23467 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NSD2 O96028 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
SCHEMBL7542094 0.89 HRH3 (0.39) HRH3CTSSCTSKUSP30CTSB
SCHEMBL6185231 0.81 GPR119 (0.40) HRH3CTSSCTSKCTSBCTSL
SCHEMBL6183507 0.81 CHRM4 (0.39) HRH3CTSSCTSKUSP30CTSB
SCHEMBL6183082 0.79 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL6182617 0.77 HRH3 (0.45) HRH3ACKR3CHRM4F2RL3GPR119
SCHEMBL6181029 0.77 HRH3 (0.46) HRH3USP30ACKR3CHRM4F2RL3
SCHEMBL7586450 0.71 GPR119 (0.41) HRH3F2RL3GPR119
SCHEMBL6182191 0.70 MAPT (0.55) CTSSCTSKCTSBCTSL
SCHEMBL6183679 0.70 GPR119 (0.43) CTSSCTSKCTSBCTSLF2RL3
SCHEMBL6183250 0.69 MAPT (0.44) CTSSCTSKUSP30CTSBCTSL

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
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

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 HRH3 2461/4885CTSS 10/4885CTSK 32/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HRH3 2461/4885CTSS 10/4885CTSK 32/4885

“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.