SCHEMBL9948317

SCHEMBL9948317

CC(C)(C)OC(=O)N1CCCCC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PREP P48147 2/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
USP30 Q70CQ3 2/20 0.38
CYP11B2 P19099 1/20 0.37
CTSK P43235 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL1262593 0.95 HPGD (0.45) HPGDUSP2SMN1; SMN2PREPEPHX2
SCHEMBL475749 0.88 USP2 (0.47) HPGDUSP2SMN1; SMN2EPHX2USP30
SCHEMBL8265979 0.83 HPGD (0.50) HPGDUSP2SMN1; SMN2PREPEPHX2
SCHEMBL938773 0.82 HPGD (0.49) HPGDUSP2SMN1; SMN2PREPEPHX2
SCHEMBL8149066 0.82 HPGD (0.53) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL12384327 0.81 USP2 (0.48) HPGDUSP2SMN1; SMN2EPHX2EPHX1
SCHEMBL24693363 0.81 HPGD (0.48) HPGDUSP2SMN1; SMN2PREPEPHX2
SCHEMBL31603608 0.81 HPGD (0.48) HPGDUSP2SMN1; SMN2PREPEPHX2
SCHEMBL31460589 0.81 HPGD (0.48) HPGDUSP2SMN1; SMN2PREPEPHX2
SCHEMBL31460689 0.81 HPGD (0.48) HPGDUSP2SMN1; SMN2PREPEPHX2

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 HPGD 573/4885USP2 3683/4885SMN1; SMN2 1647/4885
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 HPGD 602/4885USP2 3504/4885SMN1; SMN2 1494/4885

“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.