SCHEMBL13617507

SCHEMBL13617507

O=Cc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 10/20 0.42
▸ ADRA1A P35348 1/20 0.35
▸ CCR1 P32246 4/20 0.35
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ OPRM1 P35372 3/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL10287605 0.93 DRD2 (0.41) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL13824491 0.91 DRD2 (0.38) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL13824256 0.90 DRD2 (0.37) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL13824482 0.90 DRD2 (0.40) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL13616961 0.89 DRD2 (0.36) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL10288236 0.88 ALDH1A1 (0.41) DRD2CCR1DRD3SIGMAR1
SCHEMBL12121715 0.87 CCR1 (0.37) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL13617080 0.86 DRD2 (0.36) DRD2CCR1DRD4DRD3
SCHEMBL13617506 0.86 DRD2 (0.38) DRD2ADRA1ACCR1DRD4DRD3
SCHEMBL12121724 0.86 DRD2 (0.39) DRD2CCR1DRD4DRD3SIGMAR1

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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 — — 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 DRD2 3566/4885ADRA1A 1190/4885CCR1 10/4885

“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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