SCHEMBL10155062

SCHEMBL10155062

Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCNC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.49
ADRA1A P35348 2/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HRH1 P35367 1/20 0.49
HTR6 P50406 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
SIRT1 Q96EB6 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 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
SCHEMBL10155065 0.89 HTR6 (0.51) HRH1HTR6SIRT2CA1CA2
SCHEMBL12883052 0.87 HRH1 (0.54) ADRA2AADRA1ADRD2HTR2AHTR2C
SCHEMBL10155064 0.86 CYP3A4 (0.51) HRH1HTR6CA1CA2HDAC1
SCHEMBL8038616 0.85 CA1 (0.65) ADRA2AADRA1AHTR6CA1CA2
SCHEMBL13142306 0.81 HRH1 (0.63) ADRA2AADRA1ADRD2HTR2AHTR2C
SCHEMBL13862123 0.81 HSD17B10 (0.57) SIRT2SIRT1KMT2AHSD17B10
SCHEMBL3722443 0.81 HRH1 (0.67) ADRA2AADRA1ADRD2HTR2AHTR2C
SCHEMBL8036738 0.80 ADRA2A (0.58) ADRA2AADRA1ADRD2HTR2AHTR2C
SCHEMBL8038623 0.79 HRH1 (0.70) ADRA2AADRA1ADRD2HTR2AHTR2C
SCHEMBL8035118 0.79 CYP3A4 (0.58) HRH1HTR6HDAC1HDAC6

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 ADRA2A 86/4885ADRA1A 35/4885DRD2 79/4885

“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.