SCHEMBL563467

SCHEMBL563467

O=C(Cc1ccccc1)N1CCC[C@H]1c1nc(-c2cccc(Oc3ccc(-c4cnc([C@@H]5CCCN5C(=O)Cc5ccccc5)[nH]4)cc3)c2)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.54
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL563468 1.00 PRCP (0.54) PRCPHCRTR1HCRTR2OPRM1OPRD1
SCHEMBL564421 0.93 PRCP (0.52) PRCPHCRTR1HCRTR2OPRM1OPRD1
SCHEMBL10039591 0.93 PRCP (0.48) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL564422 0.93 PRCP (0.52) PRCPHCRTR1HCRTR2OPRM1OPRD1
SCHEMBL10039598 0.89 PRCP (0.48) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL10039592 0.89 PRCP (0.59) PRCPHCRTR1HCRTR2
SCHEMBL10039628 0.88 PRCP (0.62) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL10039603 0.88 PRCP (0.48) PRCPHCRTR1HCRTR2OPRM1OPRD1
SCHEMBL10039597 0.87 PRCP (0.46) PRCPHCRTR1HCRTR2
SCHEMBL10039606 0.87 PRCP (0.55) PRCPHCRTR1HCRTR2

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
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 PRCP 1514/4885HCRTR1 4096/4885HCRTR2 4454/4885

“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.