SCHEMBL13617506

SCHEMBL13617506

OC1(c2ccc(Cl)cc2)CCN(CCC=C2c3ccc(Br)cc3OCC3N=CC=CC23)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ OPRM1 P35372 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ CCR3 P51677 2/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ DRD4 P21917 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
SCHEMBL12121840 0.92 DRD2 (0.32) DRD2OPRM1ADRA1ACCR1HTR1A
SCHEMBL10287605 0.90 DRD2 (0.41) DRD2OPRM1OPRL1CCR3ADRA1A
SCHEMBL13617507 0.86 DRD2 (0.42) DRD2OPRM1OPRL1ADRA1ACCR1
SCHEMBL13824482 0.85 DRD2 (0.40) DRD2CCR5OPRM1ADRA1ACCR1
SCHEMBL10288236 0.85 ALDH1A1 (0.41) DRD2CCR1HTR1AHTR2ADRD3
SCHEMBL13824491 0.85 DRD2 (0.38) DRD2OPRL1CCR3ADRA1ACCR1
SCHEMBL13824256 0.84 DRD2 (0.37) DRD2OPRL1CCR3ADRA1ACCR1
SCHEMBL13617080 0.83 DRD2 (0.36) DRD2CCR1HTR1AHTR2ADRD3
SCHEMBL13824429 0.82 ALDH1A1 (0.39) DRD2CCR1HTR1AHTR2ADRD3
SCHEMBL10287553 0.82 DRD2 (0.41) DRD2ADRA1ACCR1HTR1AHTR2A

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 3566/4885CCR5 6/4885OPRM1 1015/4885

“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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