SCHEMBL6318616

SCHEMBL6318616

CC(C)CCc1cc[c]c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
TSHR P16473 1/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8178097 0.83 CYP4F2 (0.40) GRIN2DGRIN2AGRIN2BGRIN2CTSHR
SCHEMBL4651360 0.81 MCL1 (0.41) SMN1; SMN2L3MBTL1POLB
SCHEMBL7491203 0.78 BCL2 (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL676941 0.75 OPRM1 (0.33) GRIN2DGRIN2AGRIN2BGRIN2COPRM1
SCHEMBL27288211 0.74 ENPP2 (0.39) TSHRLMNASMN1; SMN2ERAP1
SCHEMBL848969 0.73 FOLH1 (0.56) GRIN2DGRIN2AGRIN2BGRIN2CSMN1; SMN2
Bicarbonate SCHEMBL27892668 0.71 TSHR (0.59) TSHRLMNAPKMMEN1HTT
SCHEMBL28750453 0.70 KEAP1 (0.55) LMNAPKM
SCHEMBL22261815 0.70 GABRA1 (0.40) TSHRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10087025 0.70 AKR1B1 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CTSHR

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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRD1, OPRM1, OPRK1 GRIN2D 215/4885GRIN2A 96/4885GRIN2B 151/4885

“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.