SCHEMBL3040158

SCHEMBL3040158

Cc1ccc(S(=O)(=O)N2CCC(N3CCc4c(c5cc(C)ccc5n4/C=C/c4ccncc4)C3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.52
HRH1 P35367 4/20 0.49
ADRA2A P08913 1/20 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
ADRA1A P35348 1/20 0.49
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 3/20 0.42
EBP Q15125 1/20 0.40
DHCR7 Q9UBM7 1/20 0.40
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3040162 1.00 HTR6 (0.52) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3023786 0.87 HTR6 (0.45) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3023789 0.87 HTR6 (0.45) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3024679 0.86 HRH1 (0.64) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3024681 0.86 HRH1 (0.64) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL8032413 0.80 HRH1 (0.77) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL2187744 0.79 HTR6 (0.68) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3025103 0.76 HTR6 (0.83) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3025099 0.76 HTR6 (0.83) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3028582 0.76 HRH1 (0.66) HTR6HRH1ADRA2ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US 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 (3 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885

“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.