SCHEMBL5489345

SCHEMBL5489345

CC(C)(C)CCNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
MLYCD O95822 2/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCKBR P32239 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL21244724 0.86 CA3 (0.36) SIGMAR1MLYCDCYP2D6CYP2C19KDM4C
SCHEMBL5807159 0.82 ALDH1A1 (0.43) SIGMAR1MLYCDCYP2D6CYP2C19KDM4C
SCHEMBL13589877 0.81 SIGMAR1 (0.46) SIGMAR1MLYCDCCKBRNAMPT
SCHEMBL19543467 0.81 SIGMAR1 (0.46) SIGMAR1MLYCDKDM4C
SCHEMBL4077716 0.80 GRM4 (0.38) SIGMAR1MLYCDCYP2D6CYP2C19KDM4C
SCHEMBL6718485 0.79 SIGMAR1 (0.44) SIGMAR1MLYCDCCKBRKDM4CNAMPT
SCHEMBL426372 0.79 KDM4E (0.52) SIGMAR1MLYCD
SCHEMBL4334873 0.78 CYP2D6 (0.34) SIGMAR1CYP2D6CYP2C19KDM4C
SCHEMBL30688239 0.78 EPHX1 (0.42)
SCHEMBL21244984 0.78 CA3 (0.42) SIGMAR1MLYCDCYP2D6CYP2C19

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
JP-2007507447-A 2007-03-29 JP claimed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US claimed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP claimed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO claimed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US claimed
CN-117897386-A Benzopyran derivatives and uses thereof 斯帕克生物制药有限公司 2024-04-16 CN disclosed
EP-2906534-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2016-12-07 EP disclosed
US-9334267-B2 RAF inhibitor compounds DECIPHERA PHARMACEUTICALS, LLC (US) 2016-05-10 US disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
EP-2906534-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2015-08-19 EP disclosed
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-20150119392-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC 2015-04-30 US disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 SIGMAR1 1946/4885MLYCD 2441/4885CYP2D6 453/4885
US-20150119392-A1 RAF INHIBITOR COMPOUNDS BRAF, RAF1, NRAS SIGMAR1 4562/4885MLYCD 3547/4885CYP2D6 3264/4885

“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.