SCHEMBL4895988

SCHEMBL4895988

CC(C)(C)ON(C=O)C(CCO)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
ATM Q13315 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL6400372 0.89 OPRK1 (0.40) OPRK1OPRM1OPRD1ATMTAAR1
SCHEMBL4729192 0.89 OPRK1 (0.40) OPRK1OPRM1OPRD1ATMTAAR1
SCHEMBL4730804 0.81 SMN1; SMN2 (0.37) ATMMEN1KMT2ACYP3A4TSHR
SCHEMBL4782265 0.79 MAOB (0.41) MEN1KMT2A
SCHEMBL28438381 0.79 CSNK1E (0.40) OPRK1OPRM1OPRD1EPHX1
SCHEMBL8530952 0.78 KMT2A (0.34) OPRK1OPRM1OPRD1ATMTAAR1
SCHEMBL28233244 0.78 CYP1A2 (0.41) OPRK1OPRM1OPRD1ATMCTRB1
SCHEMBL6165008 0.77 TAAR1 (0.38) OPRK1OPRM1OPRD1ATMTAAR1
SCHEMBL8827814 0.77 TAAR1 (0.38) OPRK1OPRM1OPRD1ATMTAAR1
SCHEMBL6401312 0.76 CA1 (0.40) CYP3A4CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR OPRK1 1034/4885OPRM1 3065/4885OPRD1 3132/4885

“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.