SCHEMBL719399

SCHEMBL719399

COC(=O)c1nn(C2CCCCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.53
PLAU P00749 3/20 0.53
F2 P00734 2/20 0.53
HTR3A P46098 5/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46

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
SCHEMBL21725181 0.99 ELANE (0.54) ELANEPLAUF2HTR3AGABRP
SCHEMBL2077051 0.96 ELANE (0.54) ELANEPLAUF2HTR3AGABRP
SCHEMBL29805550 0.93 ELANE (0.57) ELANEPLAUF2HTR3AHTR3E
SCHEMBL8718634 0.83 KDM4E (0.49) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL29526337 0.83 ELANE (0.49) ELANEPLAUF2HTR3AGABRP
SCHEMBL28191160 0.83 ELANE (0.55) ELANEALDH1A1TP53CYP3A4TSHR
SCHEMBL8718851 0.82 HTR3A (0.44) ELANEHTR3AHTR3ESLC22A2HTR3B
SCHEMBL3411552 0.82 KDM4E (0.47) ELANEHTR3AHTR3ESLC22A2HTR3B
SCHEMBL29121783 0.81 ELANE (0.56) ELANEPLAUF2HTR3ATP53
SCHEMBL8876610 0.81 ELANE (0.51) ELANEHTR3AHTR3ESLC22A2HTR3B

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
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ELANE 1022/4885PLAU 2679/4885F2 1682/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ELANE 1022/4885PLAU 2679/4885F2 1682/4885

“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.