SCHEMBL16867366

SCHEMBL16867366

CNC1(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.50
OPRL1 P41146 7/20 0.50
OPRK1 P41145 1/20 0.46
PDE2A O00408 3/20 0.42
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
HDAC1 Q13547 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL14533695 0.90 OPRM1 (0.43) OPRM1OPRL1OPRK1PDE2ATSHR
SCHEMBL14533621 0.90 OPRM1 (0.43) OPRM1OPRL1OPRK1PDE2ATSHR
Ethylene SCHEMBL11096239 0.83 OPRM1 (0.39) OPRM1OPRL1OPRK1PDE2AALDH1A1
SCHEMBL19300837 0.82 PDE2A (0.41) OPRM1OPRL1OPRK1PDE2ATSHR
SCHEMBL16870142 0.79 PDE2A (0.40) OPRM1OPRL1PDE2ATSHRALDH1A1
SCHEMBL16869995 0.77 OPRM1 (0.45) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL8351053 0.76 OPRM1 (0.50) OPRM1OPRL1OPRK1HDAC1
SCHEMBL29071770 0.74 PDE2A (0.51) PDE2AALDH1A1LMNAHDAC1
SCHEMBL2793612 0.74 OPRM1 (0.48) OPRM1OPRL1OPRK1HDAC1SLC6A4
SCHEMBL11948469 0.74 OPRM1 (0.48) OPRM1OPRL1OPRK1HDAC1

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-3087091-B1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC (CA) 2021-10-20 EP disclosed
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-08-31 US disclosed
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-02-02 US disclosed
WO-2015095952-A1 VAR2CSA-DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 WO disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN 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 (2 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-20170246310-A1 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 OPRM1 1589/4885OPRL1 1231/4885OPRK1 1739/4885
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 OPRM1 2707/4885OPRL1 1421/4885OPRK1 3878/4885

“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.