SCHEMBL3396912

SCHEMBL3396912

Cc1ccc(C2([C]=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 1/20 0.34
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1020434 0.77 OPRM1 (0.70) OPRM1
SCHEMBL6141468 0.77 MAOB (0.39) MAOBMAOACCR2SLC6A2SLC6A4
SCHEMBL6211727 0.77 OPRM1 (0.44) OPRM1MAOBMAOAACHEOPRL1
SCHEMBL324341 0.76 MEN1 (0.41) OPRM1MAOBMAOAKMT2AOPRK1
SCHEMBL23512881 0.72 OPRM1 (0.64) OPRM1
SCHEMBL9683897 0.71 OPRM1 (0.62) OPRM1
SCHEMBL625524 0.70 OPRM1 (0.66) OPRM1KMT2ASMN1; SMN2
SCHEMBL9164442 0.70 OPRM1 (0.42) OPRM1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL2441730 0.70 OPRM1 (0.66) OPRM1KMT2ASMN1; SMN2
SCHEMBL2322625 0.70 HDAC4 (0.44) OPRM1SLC6A2SLC6A4SLC6A3HSD11B1

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP OPRM1 810/4885MAOB 2054/4885MAOA 2174/4885

“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.