SCHEMBL16504385

SCHEMBL16504385

CC1(c2cccc(O)c2)OC(=O)C2=C1CNCC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
OPRK1 P41145 2/20 0.34
DRD1 P21728 1/20 0.34
HTR6 P50406 1/20 0.34
OPRM1 P35372 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL16504412 0.70 CFTR (0.40) OPRM1
SCHEMBL3547985 0.68 PTGER3 (0.46) OPRD1ALDH1A1CYP1A2CYP3A4OPRK1
SCHEMBL16504738 0.68 ASAH1 (0.33) HTR6HCAR2
SCHEMBL15013630 0.67 NPSR1 (0.45) OPRD1OPRK1OPRM1
SCHEMBL6601890 0.66 OPRD1 (0.63) OPRD1OPRK1OPRM1
SCHEMBL16504440 0.65 HTR6 (0.33) HTR6HCAR2
SCHEMBL16504560 0.65 HCAR3 (0.31) HCAR2
SCHEMBL15012260 0.65 HCAR3 (0.31) HTR6HCAR2
SCHEMBL15012334 0.64 DRD1 (0.36) OPRD1OPRK1DRD1HTR6OPRM1
SCHEMBL16504744 0.64 L3MBTL1 (0.36) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 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-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS NPSR1, TACR1, NPFFR1 OPRD1 77/4885ALDH1A1 3727/4885CYP1A2 3073/4885

“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.