SCHEMBL9947956

SCHEMBL9947956

CC1CN(C(=O)OC(C)(C)C)CCc2c1nc1ccnn1c2N1CC(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
GPR119 Q8TDV5 6/20 0.36
HTR2C P28335 4/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2B P41595 3/20 0.34
PIK3R1 P27986 3/20 0.34
PIK3CA P42336 3/20 0.34
PDE10A Q9Y233 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CYP8B1 Q9UNU6 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
SCHEMBL10217084 0.89 HTR2C (0.42) ABCB1GPR119HTR2CHTR2AHTR2B
SCHEMBL9948397 0.87 PIK3R1 (0.38) GPR119PIK3R1PIK3CA
SCHEMBL2571551 0.86 HTR2C (0.47) GPR119HTR2CHTR2AHTR2B
SCHEMBL10217078 0.84 SMARCA2 (0.38) ABCB1GPR119SMARCA2SMARCA4PBRM1
SCHEMBL9948082 0.83 POLB (0.37) ABCB1GPR119PIK3R1PIK3CAPDE10A
SCHEMBL10217200 0.77 HTR2C (0.45) GPR119HTR2CHTR2AHTR2BPDE10A
SCHEMBL9947850 0.77 HTR2C (0.49) GPR119HTR2CHTR2AHTR2B
SCHEMBL10217118 0.75 HTR2C (0.45) ABCB1GPR119HTR2CHTR2AHTR2B
SCHEMBL2573706 0.75 HTR2C (0.45) GPR119HTR2CHTR2AHTR2B
SCHEMBL10217503 0.75 HTR2C (0.47) GPR119HTR2CHTR2AHTR2B

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 4 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-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
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP 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 ABCB1 279/4885GPR119 10/4885HTR2C 2/4885
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 ABCB1 275/4885GPR119 13/4885HTR2C 2/4885

“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.