SCHEMBL10218477

SCHEMBL10218477

O=C(C1CN(c2c3c(nc4ccnn24)CCNCC3)C1)N1CCc2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.56
HTR2B P41595 16/20 0.56
HTR2A P28223 15/20 0.56
NOTUM Q6P988 1/20 0.39
CNR2 P34972 1/20 0.38
PIK3CD O00329 1/20 0.38
CYP3A4 P08684 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL10218179 0.90 HTR2C (0.52) HTR2CHTR2BHTR2ANOTUMPIK3CD
SCHEMBL10218222 0.90 HTR2C (0.52) HTR2CHTR2BHTR2ANOTUM
SCHEMBL10218156 0.88 HTR2C (0.56) HTR2CHTR2BHTR2A
SCHEMBL10218631 0.88 HTR2C (0.53) HTR2CHTR2BHTR2APIK3CDCYP3A4
SCHEMBL10218476 0.88 HTR2C (0.60) HTR2CHTR2BHTR2ANOTUM
SCHEMBL10218572 0.87 HTR2A (0.41) HTR2CHTR2BHTR2ANOTUMCNR2
SCHEMBL10218220 0.86 HTR2C (0.54) HTR2CHTR2BHTR2AAKT1
SCHEMBL10218361 0.85 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL10218309 0.85 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL10218234 0.85 HTR2C (0.49) HTR2CHTR2BHTR2ACNR2

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 5 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
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
WO-2010060952-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) 2010-06-03 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 (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 2/4885HTR2B 14/4885HTR2A 9/4885

“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.