SCHEMBL2547427

SCHEMBL2547427

O=C(COC1CC2CCC(C1)N2c1nc2ccc(OCC3CC3)cc2o1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
ACACB O00763 1/20 0.40
FKBP1A P62942 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE2A O00408 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
F2RL3 Q96RI0 2/20 0.38
PRKDC P78527 1/20 0.37
USP2 O75604 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
SCHEMBL2548816 0.87 ACACA (0.51) ACACAKDM4EALDH1A1HPGDPOLB
SCHEMBL2548454 0.86 ACACB (0.46) ACACAACACBF2RL3
SCHEMBL2551560 0.82 TP53 (0.47) KDM4EALDH1A1HPGDPOLBTP53
SCHEMBL2551554 0.82 TP53 (0.47) KDM4EALDH1A1HPGDPOLBTP53
SCHEMBL2550306 0.79 F2RL3 (0.44) ACACAACACBF2RL3
SCHEMBL16747670 0.79 ACACB (0.44) ACACAACACBF2RL3
SCHEMBL2549558 0.75 F2RL3 (0.44) ACACAACACBF2RL3PRKDC
SCHEMBL2546088 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPOLBTP53
SCHEMBL2546086 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPOLBTP53
SCHEMBL2548824 0.73 ACACA (0.59) ACACAACACBF2RL3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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 (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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ACACA 1/4885KDM4E 1344/4885ALDH1A1 583/4885

“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.