SCHEMBL6840744

SCHEMBL6840744

O=C1c2ccccc2CCC12CCN(CCc1ccccc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
HTR2A P28223 13/20 1.00
HTR2C P28335 13/20 1.00
HTR2B P41595 13/20 1.00
DRD2 P14416 13/20 1.00
OPRM1 P35372 1/20 0.57

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
SCHEMBL6841160 0.92 SIGMAR1 (0.86) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18191783 0.88 SIGMAR1 (0.79) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6841309 0.86 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6841155 0.86 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6843210 0.84 SIGMAR1 (0.73) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6836332 0.84 SIGMAR1 (0.71) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6836359 0.82 SIGMAR1 (0.70) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8914235 0.82 SIGMAR1 (0.69) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7587346 0.81 SIGMAR1 (0.73) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL3812419 0.81 SIGMAR1 (1.00) 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 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 11/4885HTR2A 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.