SCHEMBL988967

SCHEMBL988967

O=C(O)NCCOc1ccc2c(c1)C(C1(c3cccc(Cl)n3)CCC1)=NCC2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.33
PDK2 Q15119 2/20 0.32
PPARG P37231 7/20 0.32
PPARA Q07869 6/20 0.32
KLKB1 P03952 2/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
EPHX2 P34913 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL8027887 0.90 PDK2 (0.46) KDM4EPDK2
SCHEMBL988268 0.85 PDK2 (0.33) PDK2
SCHEMBL990401 0.84 SLC6A9 (0.48)
SCHEMBL15153856 0.84 PDK2 (0.35) KDM4EPDK2PPARGPPARA
SCHEMBL990550 0.81 KDM4E (0.38) KDM4EPOLBPPARGPPARARAB9A
SCHEMBL990199 0.81 NPC1 (0.38) KDM4EPOLBNPC1RAB9A
SCHEMBL1862319 0.80 KDM4E (0.36) KDM4E
SCHEMBL989560 0.77 F10 (0.42) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4407876 0.77 MAOA (0.36) KDM4EPOLBNPC1RAB9A
SCHEMBL989898 0.77 PDK2 (0.39) KDM4EPOLBPDK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO 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-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GOLT1B, SLC10A1, SUGT1 KDM4E 3292/4885POLB 3669/4885PDK2 2459/4885

“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.