SCHEMBL13339986

SCHEMBL13339986

CC1(C)C(=O)c2ccccc2OC12CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.43
KCNH2 Q12809 10/20 0.43
OPRK1 P41145 5/20 0.43
CYP2D6 P10635 4/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
Hydrochloric Acid SCHEMBL3494214 0.98 OPRD1 (0.43) OPRD1KCNH2OPRK1CYP2D6MAPT
SCHEMBL22389768 0.78 HDAC3 (0.50) OPRD1KCNH2OPRK1CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL3228756 0.76 HDAC3 (0.49) OPRD1KCNH2OPRK1CYP2D6ALDH1A1
SCHEMBL2586824 0.76 OPRD1 (0.44) OPRD1KCNH2OPRK1CYP2D6MAPT
SCHEMBL14918914 0.74 OPRD1 (0.40) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL2590441 0.73 OPRD1 (0.39) OPRD1KCNH2OPRK1CYP2D6MAPT
SCHEMBL14919156 0.72 OPRD1 (0.39) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL3492810 0.71 GPR119 (0.42)
SCHEMBL3492815 0.71 GPR119 (0.42)
SCHEMBL14919240 0.70 OPRD1 (0.35) OPRD1KCNH2OPRK1CYP2D6MAPT

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
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B OPRD1 4498/4885KCNH2 2511/4885OPRK1 3966/4885

“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.