SCHEMBL10217435

SCHEMBL10217435

CC(C)(C)OC(=O)N1CCc2nc3ccnn3c(N3CC(Cc4ccccn4)C3)c2CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
HTR2C P28335 11/20 0.44
HTR2A P28223 10/20 0.44
HTR2B P41595 10/20 0.44
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.38
GRM5 P41594 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
SCHEMBL9947883 0.86 HTR2C (0.47) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL10217386 0.85 HTR2C (0.45) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL2573706 0.85 HTR2C (0.45) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL9947850 0.84 HTR2C (0.49) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL10217424 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL2571551 0.82 HTR2C (0.47) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL9947932 0.81 HTR2C (0.46) HTR2CHTR2AHTR2BGPR119LMNA
SCHEMBL10217503 0.81 HTR2C (0.47) HTR2CHTR2AHTR2BGPR119MAPT
SCHEMBL10217200 0.80 HTR2C (0.45) PDE10AHTR2CHTR2AHTR2BGPR119
SCHEMBL10217265 0.78 HTR2C (0.41) PDE10AHTR2CHTR2AHTR2BLMNA

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 PDE10A 589/4885HTR2C 2/4885HTR2A 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 PDE10A 646/4885HTR2C 2/4885HTR2A 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.