SCHEMBL6283231

SCHEMBL6283231

Cc1nc2c(OCc3ccccc3)cccn2c1NC(C)(C)CC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.60
ATP4B P51164 4/20 0.60
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PSEN1 P49768 6/20 0.48
PSEN2 P49810 6/20 0.48
APH1B Q8WW43 6/20 0.48
NCSTN Q92542 6/20 0.48
APH1A Q96BI3 6/20 0.48
PSENEN Q9NZ42 6/20 0.48
CYP2C19 P33261 1/20 0.44
GUCY1B2 O75343 3/20 0.42

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
SCHEMBL2193541 0.81 ATP4A (0.66) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL5128243 0.80 ATP4A (0.41) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL6276589 0.79 IDO1 (0.44) IDO1
SCHEMBL2193469 0.77 ATP4A (0.76) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8816284 0.76 ATP4A (0.74) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL6282049 0.75 PSEN1 (0.60) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL6281999 0.75 ATP4A (0.59) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL6940664 0.75 ATP4A (0.72) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2191144 0.75 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL17028948 0.74 ATP4A (0.72) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
EP-0954526-A2 SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1999-11-10 EP claimed
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 WO claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO disclosed
EP-0954526-A2 SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1999-11-10 EP disclosed
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 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 (1 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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 ATP4A 1990/4885ATP4B 2290/4885CYP1A2 220/4885

“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.