SCHEMBL1285604

SCHEMBL1285604

CC(C)(C)OC(=O)N1CCc2ccc(CC#N)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.63
ESR2 Q92731 1/20 0.58
GPR119 Q8TDV5 2/20 0.48
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.42
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IGF1R P08069 1/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 2/20 0.39
UCHL1 P09936 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39

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
SCHEMBL1773799 0.95 ESR2 (0.65) NR1H2ESR2GPR119MAPK1HDAC1
SCHEMBL1790023 0.93 ESR2 (0.54) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL1285596 0.85 NR1H2 (0.69) NR1H2ESR2GPR119MAPK1HDAC1
SCHEMBL29407557 0.85 NR1H2 (0.69) NR1H2ESR2GPR119MAPK1HDAC1
SCHEMBL12376466 0.85 NR1H2 (0.69) NR1H2ESR2MAPK1HDAC1TMEM97
SCHEMBL22981583 0.84 NR1H2 (0.67) NR1H2ESR2MAPK1HDAC1TMEM97
SCHEMBL1286143 0.84 NR1H2 (0.67) NR1H2ESR2MAPK1HDAC1TMEM97
SCHEMBL4015963 0.84 NR1H2 (0.67) NR1H2ESR2MAPK1HDAC1TMEM97
SCHEMBL29388691 0.84 NR1H2 (0.67) NR1H2ESR2MAPK1HDAC1TMEM97
SCHEMBL29421745 0.84 NR1H2 (0.67) NR1H2ESR2MAPK1HDAC1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-11 US disclosed
US-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-11 US disclosed
US-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-11 US disclosed
US-9045459-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-02 US disclosed
US-9045459-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-02 US disclosed
US-9045459-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-02 US disclosed
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
WO-2012020134-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 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 (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-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT NR1H2 2253/4885ESR2 4537/4885GPR119 936/4885
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT NR1H2 2253/4885ESR2 4537/4885GPR119 936/4885

“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.