SCHEMBL10217549

SCHEMBL10217549

Cc1cnn2c(Cl)c3c(nc12)CCNCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.41
HTR2B P41595 13/20 0.41
HTR2A P28223 12/20 0.41
ADRB2 P07550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
HCRTR1 O43613 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10217523 0.83 HTR2C (0.41) HTR2CHTR2BHTR2AADRB2CHRM3
SCHEMBL10217054 0.83 HTR2C (0.36) HTR2CHTR2BHTR2AADRB2CHRM3
SCHEMBL10217576 0.80 PLAT (0.36) HTR2CHTR2BHTR2AADRB2CHRM3
SCHEMBL2571513 0.79 HTR2C (0.62) HTR2CHTR2BHTR2AHTR6KDM4E
SCHEMBL10217552 0.78 HTR2C (0.62) HTR2CHTR2BHTR2AHTR6KDM4E
SCHEMBL2574254 0.75 HPGD (0.36) GAAKDM4EKMT2AHPGDTSHR
SCHEMBL2574952 0.71 HTR2C (0.63) HTR2CHTR2BHTR2A
SCHEMBL2569302 0.70 HTR2C (0.45) HTR2CHTR2BHTR2AHTR6GAA
SCHEMBL9948087 0.70 SPR (0.44) KMT2ATSHR
SCHEMBL14700088 0.69 HTR6 (0.45) HTR2CHTR2BHTR2AADRB2CHRM3

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-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (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-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 HTR2C 2/4885HTR2B 14/4885HTR2A 9/4885
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 HTR2C 2/4885HTR2B 14/4885HTR2A 7/4885

“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.