SCHEMBL6840740

SCHEMBL6840740

CC(c1ccccc1)N1CCC2(CCc3ccccc3C2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.66
HTR2A P28223 12/20 0.66
HTR2C P28335 12/20 0.66
HTR2B P41595 12/20 0.66
DRD2 P14416 11/20 0.57
CYP2D6 P10635 1/20 0.49
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRL1 P41146 3/20 0.48
OPRD1 P41143 2/20 0.48
MC4R P32245 1/20 0.48
SCD O00767 1/20 0.46

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
SCHEMBL9479601 0.81 CYP2D6 (0.54) SIGMAR1CYP2D6OPRM1OPRK1OPRL1
SCHEMBL6841148 0.81 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6836356 0.80 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6840920 0.77 SIGMAR1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6836359 0.77 SIGMAR1 (0.70) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18494326 0.76 SIGMAR1 (0.74) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6841626 0.75 SIGMAR1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7587346 0.75 SIGMAR1 (0.73) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL9451756 0.74 SIGMAR1 (0.71) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8778970 0.73 SIGMAR1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US claimed
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.