SCHEMBL5758293

SCHEMBL5758293

CON(C)C(=O)CN(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ACHE P22303 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
BCHE P06276 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL17275348 0.87 NPC1 (0.50) RAB9ANPC1ACHEALDH1A1SMN1; SMN2
SCHEMBL4802333 0.84 NPC1 (0.51) RAB9ANPC1ACHEALDH1A1SMN1; SMN2
SCHEMBL5761072 0.79 KDM4E (0.56) RAB9ANPC1KDM4EACHEALDH1A1
SCHEMBL3837989 0.79 DRD3 (0.41) RAB9ANPC1ACHESMN1; SMN2KMT2A
SCHEMBL361027 0.79 ALOX5 (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2197310 0.78 KMT2A (0.50) RAB9ANPC1KMT2AMEN1CA12
SCHEMBL304452 0.78 RAB9A (0.55) RAB9ANPC1KDM4EACHEALDH1A1
SCHEMBL13888848 0.78 RAB9A (0.51) RAB9ANPC1KDM4EACHEALDH1A1
SCHEMBL4332580 0.78 NPC1 (0.51) RAB9ANPC1KDM4EACHEALDH1A1
Hydrochloric Acid SCHEMBL5760483 0.77 RAB9A (0.53) RAB9ANPC1KDM4EACHEALDH1A1

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
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 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-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 RAB9A 1492/4885NPC1 2336/4885KDM4E 2752/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 RAB9A 1492/4885NPC1 2336/4885KDM4E 2752/4885

“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.