SCHEMBL10155065

SCHEMBL10155065

Cc1ccc2c(c1)c1c(n2Cc2ccc(F)cc2)CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.51
HRH1 P35367 2/20 0.51
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNG1 Q06432 1/20 0.45
CACNB2 Q08289 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CACNA1E Q15878 1/20 0.45
CACNA2D4 Q7Z3S7 1/20 0.45

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
SCHEMBL13141830 0.89 HTR6 (0.66) HTR6HRH1CYP3A4SIRT2
SCHEMBL10155062 0.89 ADRA2A (0.49) HTR6HRH1CACNB4CACNA1ACACNA1G
SCHEMBL10155064 0.84 CYP3A4 (0.51) HTR6HRH1CYP3A4HDAC1HDAC6
SCHEMBL13141832 0.83 HTR6 (0.66) HTR6HRH1CYP3A4
SCHEMBL8037457 0.82 HTR6 (0.68) HTR6HRH1CYP3A4SIRT2SIRT1
SCHEMBL13142306 0.82 HRH1 (0.63) HTR6HRH1HSD17B10SIRT2MCHR1
SCHEMBL12883052 0.81 HRH1 (0.54) HTR6HRH1SIRT2LMNASIRT1
SCHEMBL10155029 0.79 BCHE (0.61) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4125625 0.77 HTR6 (0.81) HTR6HRH1HDAC1HDAC6ALDH1A1
SCHEMBL13862123 0.77 HSD17B10 (0.57) HSD17B10SIRT2SIRT1MEN1KMT2A

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 2 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

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 HTR6 117/4885HRH1 154/4885CACNB4 1340/4885

“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.