SCHEMBL1128885

SCHEMBL1128885

CC(C)(O)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
PER2 O15055 6/20 0.51
FABP4 P15090 3/20 0.48
FABP5 Q01469 3/20 0.48
FABP3 P05413 1/20 0.48
BACE1 P56817 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
DNM1 Q05193 2/20 0.43
TSPO P30536 1/20 0.43

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
Hydrochloric Acid SCHEMBL1128368 0.84 KDM4E (0.63) PER2BACE1KDM4E
SCHEMBL26309809 0.83 CYP1A2 (0.56) CYP1A2CYP2C19PER2FABP4FABP5
SCHEMBL13111957 0.83 CYP1A2 (0.56) CYP1A2CYP2C19PER2FABP4FABP5
SCHEMBL1128490 0.80 FABP4 (0.50) CYP1A2CYP2C19PER2FABP4FABP5
SCHEMBL18539423 0.80 CYP1A2 (0.48) CYP1A2CYP2C19PER2FABP4FABP5
SCHEMBL18715068 0.80 PER2 (0.49) CYP1A2CYP2C19PER2FABP4FABP5
SCHEMBL19590449 0.80 PER2 (0.49) CYP1A2CYP2C19PER2FABP4FABP5
SCHEMBL1128146 0.80 MAPT (0.69)
SCHEMBL12386908 0.78 CYP1A2 (0.50) CYP1A2CYP2C19PER2BACE1KDM4E
SCHEMBL11517395 0.76 HTR6 (0.43) PER2FABP4FABP5FABP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005730-B2 3-aminocarbazole compound, pharmaceutical composition containing it and preparation method therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2018-06-26 US disclosed
US-20160102056-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-04-14 US disclosed
US-9249097-B2 3-aminocarbazole compound, pharmaceutical composition containing it and preparation method therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-02-02 US disclosed
US-20140107174-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR AZIENDE CHIM. RIUN. ANG. FRANC. AC.R.A.F. S.p.A. (IT) 2014-04-17 US disclosed
US-8637682-B2 3-aminocarbazole compound, pharmaceutical composition containing it and preparation method therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2014-01-28 US disclosed
EP-2282994-B1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR ACRAF (IT) 2013-07-03 EP disclosed
US-20110060025-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR AZIENDE CHIM. RIUN.ANG.FRANC. A.C.R.A.F S.p.A. (IT) 2011-03-10 US disclosed
EP-2282994-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2011-02-16 EP disclosed
WO-2009138376-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-11-19 WO disclosed
EP-2119705-A1 3-Aminocarbozole compound, pharmaceutical composition containing it and preparation method therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-11-18 EP 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 (4 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-10005730-B2 3-aminocarbazole compound, pharmaceutical composition containing it and preparation method therefor PTGES3, PTGER3, PTGES CYP1A2 146/4885CYP2C19 27/4885PER2 992/4885
US-20160102056-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR PTGES3, PTGER3, PTGES CYP1A2 146/4885CYP2C19 27/4885PER2 992/4885
US-20140107174-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR PTGES3, PTGER3, PTGES CYP1A2 146/4885CYP2C19 27/4885PER2 992/4885
US-20110060025-A1 3-AMINOCARBAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING IT AND PREPARATION METHOD THEREFOR PTGES3, PTGER3, PTGES CYP1A2 146/4885CYP2C19 27/4885PER2 992/4885

“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.