SCHEMBL6840779

SCHEMBL6840779

COc1ccc2c(c1)C(=O)C1(CC2)CCN(CC2CCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.64
DRD2 P14416 4/20 0.64
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
OPRM1 P35372 3/20 0.53
OPRL1 P41146 3/20 0.53
OPRK1 P41145 1/20 0.53
KDM2B Q8NHM5 1/20 0.42

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
SCHEMBL6843241 0.97 SIGMAR1 (0.69) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6840788 0.95 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841620 0.91 SIGMAR1 (0.64) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841619 0.88 SIGMAR1 (0.69) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841463 0.86 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6840820 0.81 SIGMAR1 (0.93) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL13004977 0.81 SIGMAR1 (0.62) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6836319 0.81 SIGMAR1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL8779124 0.80 HTR2A (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14409344 0.80 HTR2A (0.53) SIGMAR1DRD2HTR2AHTR2CHTR2B

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
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO claimed
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO 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 11/4885DRD2 134/4885HTR2A 281/4885

“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.