SCHEMBL4258693

SCHEMBL4258693

NC(=O)COc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CC(F)(F)C1)=NCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
PDK2 Q15119 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
ATF4 P18848 4/20 0.33
LMNA P02545 2/20 0.33
MAP4K4 O95819 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP14 P54578 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4255610 0.89 MAOA (0.40) MAOAMAOBMAPTPDK2MEN1
SCHEMBL988345 0.85 SLC6A2 (0.36) MAOAMAOBPDK2MEN1KMT2A
SCHEMBL988843 0.82 SLC6A2 (0.43) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL991050 0.80 PDK2 (0.44) PDK2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL991714 0.78 SLC6A2 (0.40) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL990371 0.77 SLC6A9 (0.50) MAOAMAOBLMNASLC6A2SLC6A4
SCHEMBL989554 0.75 SLC6A2 (0.41) MAOAMAOBPDK2MEN1KMT2A
SCHEMBL4259323 0.75 HSD11B1 (0.34) MEN1KMT2ARAB9ALMNAMAP4K4
Hydrochloric Acid SCHEMBL990452 0.74 SLC6A2 (0.40) MAOAMAOBPDK2MEN1KMT2A
SCHEMBL990199 0.74 NPC1 (0.38) MAOAMAOBMAPTKMT2ARAB9A

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-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 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
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-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 MAOA 3531/4885MAOB 2765/4885MAPT 442/4885

“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.