SCHEMBL6836342

SCHEMBL6836342

COc1cccc2c1CCC1(CCN(CCCc3ccccc3)CC1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.56
DRD2 P14416 6/20 0.56
HTR2A P28223 6/20 0.56
HTR2C P28335 6/20 0.56
HTR2B P41595 6/20 0.56
EBP Q15125 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 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
SCHEMBL6843421 0.94 SIGMAR1 (0.65) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841160 0.80 SIGMAR1 (0.86) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841158 0.79 SIGMAR1 (0.64) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6836321 0.79 SIGMAR1 (0.62) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6836327 0.78 KDM4E (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841700 0.78 SIGMAR1 (0.56) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL29506192 0.77 SIGMAR1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL21855660 0.77 SIGMAR1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6840806 0.77 SIGMAR1 (0.59) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6841724 0.76 SIGMAR1 (0.64) 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.