SCHEMBL6183250

SCHEMBL6183250

CC(C)CCN(C(=O)c1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)C(=O)N(C)CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 7/20 0.41
CTSB P07858 7/20 0.41
CTSS P25774 7/20 0.41
CTSK P43235 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
ENPP2 Q13822 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7588285 0.91 MAPT (0.45) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL6183082 0.88 CTSS (0.46) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL6182283 0.86 CTSB (0.44) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL7586301 0.82 MAPT (0.56) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL6183253 0.80 CTSB (0.46) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL7544949 0.80 RAB9A (0.49) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL6182191 0.79 MAPT (0.55) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL7586450 0.78 GPR119 (0.41) GPR119
SCHEMBL6185231 0.76 GPR119 (0.40) MAPTLMNASMN1; SMN2CTSLCTSB
SCHEMBL7429753 0.75 MAPK1 (0.45) MAPTLMNAMAPK1SMN1; SMN2TSHR

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
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed
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 MAPT 2606/4885LMNA 1379/4885MAPK1 2648/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAPT 2606/4885LMNA 1379/4885MAPK1 2648/4885

“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.