SCHEMBL23541884

SCHEMBL23541884

C[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.48
▸ FAP Q12884 1/20 0.48
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ CXCR3 P49682 5/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACE P12821 2/20 0.41

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
SCHEMBL19931877 0.84 PREP (0.53) PREPFAPHTR1ADRD2HTR2A
SCHEMBL18755215 0.84 PREP (0.51) PREPFAPHTR1ADRD2HTR2A
SCHEMBL19927286 0.84 POLB (0.55) PREPFAPHTR1ADRD2HTR2A
SCHEMBL19927287 0.84 POLB (0.55) PREPFAPHTR1ADRD2HTR2A
SCHEMBL30377746 0.82 CXCR3 (0.54) HTR1AHTR2AHTR7CXCR3
SCHEMBL24925818 0.80 OPRM1 (0.49) PREPAKR1C3OPRM1OPRD1OPRK1
SCHEMBL24925839 0.80 OPRM1 (0.49) PREPAKR1C3OPRM1OPRD1OPRK1
SCHEMBL1690525 0.80 LMNA (0.54) AKR1C3NAMPTOPRM1OPRD1OPRK1
SCHEMBL24925917 0.80 OPRM1 (0.49) PREPAKR1C3OPRM1OPRD1OPRK1
SCHEMBL18970120 0.80 LMNA (0.54) AKR1C3NAMPTOPRM1OPRD1OPRK1

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
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 — — EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 — — 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 PREP 4205/4885FAP 4653/4885HTR1A 384/4885

“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.

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