SCHEMBL2082032

SCHEMBL2082032

CC(c1ccccc1)N1CCC(C2(NC(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
UTS2R Q9UKP6 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CHRM4 P08173 1/20 0.38
CCR5 P51681 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2082035 1.00 DRD4 (0.39) DRD4UTS2ROPRM1OPRD1OPRK1
SCHEMBL2266250 0.90 KDM4D (0.42) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4748025 0.85 KMT2A (0.36) UTS2ROPRM1OPRD1OPRK1OPRL1
SCHEMBL31401115 0.83 KMT2A (0.39) UTS2RCYP2D6CTSL
SCHEMBL6008976 0.83 KMT2A (0.39) UTS2RCYP2D6CTSL
SCHEMBL2082300 0.81 KMT2A (0.51) UTS2RATMHSD11B1
SCHEMBL2082301 0.81 KMT2A (0.51) UTS2RATMHSD11B1
SCHEMBL4712485 0.81 LMNA (0.45) DRD4UTS2RCHRM4CCR5LMNA
SCHEMBL6204723 0.80 UTS2R (0.36) UTS2ROPRM1OPRD1OPRK1OPRL1
SCHEMBL6204726 0.80 UTS2R (0.36) UTS2ROPRM1OPRD1OPRK1OPRL1

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-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 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 (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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L DRD4 250/4885UTS2R 2122/4885OPRM1 704/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL DRD4 428/4885UTS2R 2662/4885OPRM1 953/4885

“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.