SCHEMBL10218588

SCHEMBL10218588

Cc1cnn2c(N3CC(C(=O)N(C)Cc4ccc(C#N)cc4)C3)c3c(nc12)CCNCC3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.39
HTR2A P28223 13/20 0.39
HTR2B P41595 13/20 0.39
HTR6 P50406 1/20 0.33
CCR1 P32246 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL10218148 0.92 HTR2C (0.38) HTR2CHTR2AHTR2BHTR6CCR1
SCHEMBL10217588 0.87 HTR2C (0.53) HTR2CHTR2AHTR2BMAPKAPK2
SCHEMBL10218584 0.87 HTR2A (0.44) HTR2CHTR2AHTR2BHTR6
SCHEMBL2569302 0.83 HTR2C (0.45) HTR2CHTR2AHTR2BHTR6KDM4E
SCHEMBL10218155 0.82 HTR2C (0.38) HTR2CHTR2AHTR2BHTR6CCR1
SCHEMBL10217754 0.79 HTR2C (0.55) HTR2CHTR2AHTR2BKDM4EKMT2A
SCHEMBL10218293 0.78 HTR2C (0.55) HTR2CHTR2AHTR2BKMT2A
SCHEMBL14700102 0.78 HTR2C (0.55) HTR2CHTR2AHTR2B
SCHEMBL10217883 0.77 HTR2C (0.54) HTR2CHTR2AHTR2BKMT2A
SCHEMBL10217719 0.77 HTR2C (0.54) HTR2CHTR2AHTR2B

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-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-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 (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-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 2/4885HTR2A 9/4885HTR2B 14/4885

“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.