SCHEMBL10154860

SCHEMBL10154860

Cn1c2c(c3ccccc31)CNCCC2

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MCHR1 Q99705 11/20 0.49
HTR5A P47898 1/20 0.44

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
SCHEMBL4131362 0.90 HTR2A (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL30704389 0.90 HTR2A (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL31078590 0.89 KDM4E (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL967629 0.81 HTR2C (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL3927394 0.80 HTR2A (0.67) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL30223611 0.80 HTR2A (0.67) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL844491 0.80 HTR2A (0.67) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL16477202 0.80 MCHR1 (0.51) MCHR1
Hydrochloric Acid SCHEMBL30396890 0.79 KDM4E (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL9057430 0.79 KDM4E (0.79) HTR2AHTR2CKDM4EALOX15MAPK1

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 3 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
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 HTR2A 53/4885HTR2C 4/4885KDM4E 2849/4885

“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.