SCHEMBL18751633

SCHEMBL18751633

CCCC1CCCC[15N]1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A4 P31645 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL11990438 1.00 OPRD1 (0.56) OPRD1MEN1KMT2ASLC6A4SIGMAR1
SCHEMBL19628590 1.00 OPRD1 (0.56) OPRD1MEN1KMT2ASLC6A4SIGMAR1
SCHEMBL11990424 0.91 OPRD1 (0.54) OPRD1MEN1KMT2ASIGMAR1
SCHEMBL4794878 0.90 OPRD1 (0.53) OPRD1MEN1KMT2ASIGMAR1
SCHEMBL6848584 0.89 SIGMAR1 (0.50) OPRD1SIGMAR1
SCHEMBL24447814 0.87 MAPK1 (0.59) OPRD1MEN1KMT2AMAPK1
SCHEMBL11990423 0.87 MAPK1 (0.59) OPRD1MEN1KMT2AMAPK1
SCHEMBL30150926 0.86 SPHK2 (0.54) OPRD1SIGMAR1
SCHEMBL11969174 0.86 OPRD1 (0.51) OPRD1MEN1KMT2ASLC6A4SIGMAR1
SCHEMBL5967865 0.86 OPRD1 (0.51) OPRD1MEN1KMT2ASLC6A4SIGMAR1

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-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS OPRD1 264/4885MEN1 2575/4885KMT2A 1086/4885

“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.