SCHEMBL6840757

SCHEMBL6840757

COc1ccc2c(c1)C(=O)C1(CC2)CCN(C2(C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
HTR2A P28223 5/20 0.51
HTR2C P28335 5/20 0.51
HTR2B P41595 5/20 0.51
DRD2 P14416 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
METAP1 P53582 1/20 0.42
MAOB P27338 1/20 0.41
CYP19A1 P11511 1/20 0.39
PRNP P04156 1/20 0.39
ACHE P22303 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL13004977 0.87 SIGMAR1 (0.62) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL14409344 0.86 HTR2A (0.53) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8779124 0.84 HTR2A (0.51) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6840810 0.80 SIGMAR1 (0.51) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6799152 0.79 METAP1 (0.49) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6841582 0.78 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6840788 0.78 SIGMAR1 (0.60) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL2819403 0.78 SMN1; SMN2 (0.51) SMN1; SMN2METAP1MAOBCYP19A1PRNP
SCHEMBL6801984 0.77 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6840779 0.76 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2

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-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 SIGMAR1 11/4885HTR2A 281/4885HTR2C 96/4885

“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.