SCHEMBL273473

SCHEMBL273473

CCOC(=O)C1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.67
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTR7 P34969 3/20 0.50
CYP3A4 P08684 1/20 0.50
MAPKAPK5 Q8IW41 1/20 0.49
DRD2 P14416 1/20 0.49
GRIN2B Q13224 1/20 0.49
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
PRMT5 O14744 2/20 0.48
EGFR P00533 2/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL10481507 1.00 MAPKAPK2 (0.67) MAPKAPK2KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL1491406 0.86 MAPKAPK2 (0.71) MAPKAPK2KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL5534250 0.86 MAPKAPK2 (0.67) MAPKAPK2CYP2D6CYP2C19HTR7CYP3A4
Hydrochloric Acid SCHEMBL28201946 0.85 MAPKAPK2 (0.70) MAPKAPK2KDM4EALDH1A1CYP2D6CYP2C19
Acetone SCHEMBL27932467 0.84 MAPKAPK2 (0.68) MAPKAPK2KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL23070186 0.84 MAPKAPK2 (0.69) MAPKAPK2KDM4EMAPKAPK5KMT2A
SCHEMBL28652272 0.84 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5KMT2A
SCHEMBL30923475 0.84 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5KMT2A
SCHEMBL9687220 0.84 MAPKAPK2 (0.50) MAPKAPK2KDM4EALDH1A1MAPKAPK5KMT2A
SCHEMBL10489357 0.83 MAPKAPK2 (0.67) MAPKAPK2CYP2D6CYP2C19HTR7CYP3A4

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
CN-117362291-A Tetrahydro-beta-carboline phenol derivative, preparation method and application thereof, and whitening cream 广州番禺职业技术学院 2024-01-09 CN claimed
CN-117362291-A Tetrahydro-beta-carboline phenol derivative, preparation method and application thereof, and whitening cream 广州番禺职业技术学院 2024-01-09 CN disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 WO disclosed
US-4358451-A ANOXIA, PSYCHOTROPIC SYNTHELABO (FR) 1982-11-09 US disclosed
US-4336256-A TREATMENT OF ANOXIA, DEPRESSION AND IN PSYCHOTROPIC THERAPY SYNTHELABO (FR) 1982-06-22 US disclosed
US-4272539-A ANOXIA, ANTIDEPRESSANTS SYNTHELABO (FR) 1981-06-09 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR MAPKAPK2 1349/4885KDM4E 4534/4885ALDH1A1 1722/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR MAPKAPK2 1349/4885KDM4E 4534/4885ALDH1A1 1722/4885

“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.