SCHEMBL4228503

SCHEMBL4228503

CNCc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
OPRK1 P41145 11/20 0.55
KCNH2 Q12809 9/20 0.48
OPRM1 P35372 7/20 0.48
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRD1 P41143 5/20 0.45
ALDH1A1 P00352 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL4228506 1.00 SLC6A2 (0.58) SLC6A2SLC6A3OPRK1KCNH2OPRM1
Hydrochloric Acid SCHEMBL4932120 0.87 OPRK1 (0.56) SLC6A2SLC6A3OPRK1KCNH2OPRM1
SCHEMBL13849623 0.85 SLC6A2 (0.63) SLC6A2SLC6A3OPRK1KCNH2OPRM1
SCHEMBL4931974 0.84 SLC6A2 (0.59) SLC6A2SLC6A3OPRK1KCNH2OPRM1
SCHEMBL4931982 0.84 SLC6A2 (0.59) SLC6A2SLC6A3OPRK1KCNH2OPRM1
SCHEMBL3601726 0.84 SLC6A2 (0.61) SLC6A2SLC6A3OPRK1KCNH2OPRM1
SCHEMBL3601724 0.84 SLC6A2 (0.61) SLC6A2SLC6A3OPRK1KCNH2OPRM1
SCHEMBL3609402 0.84 SLC6A2 (0.61) SLC6A2SLC6A3OPRK1KCNH2OPRM1
Hydrochloric Acid SCHEMBL4237021 0.83 SLC6A2 (0.60) SLC6A2SLC6A3OPRK1KCNH2OPRM1
Hydrochloric Acid SCHEMBL4237024 0.83 SLC6A2 (0.60) SLC6A2SLC6A3OPRK1KCNH2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 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-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR SLC6A2 2127/4885SLC6A3 2388/4885OPRK1 1960/4885

“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.