SCHEMBL10128066

SCHEMBL10128066

Cc1ccc2c(c1)[C@@H]1CN(C)CCC[C@H]1N2C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.59
▸ HTT P42858 2/20 0.58
▸ F2 P00734 1/20 0.58
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MAPT P10636 5/20 0.55
▸ TSHR P16473 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL10127896 1.00 ALDH1A1 (0.63) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL12868610 0.94 ALDH1A1 (0.70) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL10127900 0.89 MAPT (0.66) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL12868289 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL10127898 0.88 HTR6 (0.52) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL10128070 0.85 ALDH1A1 (0.60) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL10127902 0.85 ALDH1A1 (0.60) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL12868685 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL12868669 0.83 ALDH1A1 (0.64) ALDH1A1MAPK1NPSR1HTTF2
SCHEMBL10127911 0.82 USP30 (0.50) ALDH1A1MAPK1NPSR1HTTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 — — US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 — — US disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 — — EP disclosed
WO-2008024029-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-02-28 — — 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC ALDH1A1 290/4885MAPK1 2274/4885NPSR1 516/4885

“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.

Send feedback