SCHEMBL10218571

SCHEMBL10218571

Cc1cnn2c(N3CC(C(=O)N4CCc5ccc(C(F)(F)F)cc54)C3)c3c(nc12)CCNCC3

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
CNR2 P34972 1/20 0.40
HTR2A P28223 15/20 0.39
HTR2C P28335 15/20 0.39
HTR2B P41595 14/20 0.35
ROCK1 Q13464 1/20 0.34
NOTUM Q6P988 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL10218234 0.88 HTR2C (0.49) XIAPBIRC2CNR2HTR2AHTR2C
SCHEMBL10218533 0.86 TSHR (0.43) CNR2HTR2AHTR2CHTR2BHTR6
SCHEMBL10218572 0.85 HTR2A (0.41) CNR2HTR2AHTR2CHTR2BNOTUM
SCHEMBL10218578 0.82 HTR2A (0.45) HTR2AHTR2CHTR2BNOTUMHTR6
SCHEMBL10218309 0.79 HTR2C (0.52) XIAPBIRC2HTR2AHTR2CHTR2B
SCHEMBL10218537 0.77 SPR (0.40) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218550 0.76 P2RX7 (0.35) HTR2AHTR2CHTR2BHTR6
SCHEMBL2569302 0.74 HTR2C (0.45) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218035 0.74 HTR2C (0.48) HTR2AHTR2CHTR2B
SCHEMBL14700100 0.74 HTR2A (0.38) HTR2AHTR2CHTR2BHTR6

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 XIAP 4333/4885BIRC2 4040/4885CNR2 27/4885

“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.