SCHEMBL10154883

SCHEMBL10154883

Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCN(C(=S)Nc2ccc(F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.48
HTR6 P50406 4/20 0.48
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC1 Q13547 2/20 0.46
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PTGDR2 Q9Y5Y4 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
SCHEMBL10154881 0.83 HDAC6 (0.58) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL8025075 0.80 PTGDR2 (0.56) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL8036738 0.77 ADRA2A (0.58) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL8038623 0.76 HRH1 (0.70) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL12882387 0.75 HDAC6 (0.58) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL10127781 0.74 PTGDR2 (0.61) HRH1HTR6HDAC6HDAC1HDAC10
SCHEMBL4125625 0.74 HTR6 (0.81) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL8036733 0.73 HTR6 (0.71) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL10127966 0.73 HTR6 (0.57) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL620056 0.72 MAPT (0.65) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 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-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 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 (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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC HRH1 154/4885HTR6 117/4885KDM4E 2849/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B HRH1 51/4885HTR6 1/4885KDM4E 3900/4885

“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.