SCHEMBL16870100

SCHEMBL16870100

CNC1(c2cccc(C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.49
OPRL1 P41146 8/20 0.49
OPRK1 P41145 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC4 P56524 1/20 0.46
ACHE P22303 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL24246227 0.84 HDAC3 (0.47) OPRM1OPRL1OPRK1HDAC3HDAC1
Ethylene SCHEMBL11093865 0.84 HDAC4 (0.41) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL24246220 0.79 HDAC4 (0.46) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL3224276 0.78 SLC6A4 (0.53) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL13813863 0.78 SLC6A4 (0.53) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL16867371 0.78 OPRM1 (0.47) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL23933922 0.78 OPRM1 (0.47) OPRM1OPRL1OPRK1HDAC3HDAC1
Hydrochloric Acid SCHEMBL28693173 0.77 OPRM1 (0.46) OPRM1OPRL1OPRK1NPSR1
Hydrochloric Acid SCHEMBL28693211 0.77 SLC6A4 (0.51) OPRM1OPRL1OPRK1HDAC3HDAC1
Hydrochloric Acid SCHEMBL28698308 0.77 OPRM1 (0.42) OPRM1OPRL1OPRK1HDAC3HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 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-2015095953-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 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 (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.