SCHEMBL3088231

SCHEMBL3088231

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(Cc3ccc(F)c(F)c3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.50
LSS P48449 3/20 0.47
HRH3 Q9Y5N1 2/20 0.45
SLC18A3 Q16572 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
CXCR3 P49682 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 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
SCHEMBL13157721 1.00 GPR183 (0.50) GPR183LSSHRH3SLC18A3HTR1A
SCHEMBL3105384 0.95 GPR183 (0.48) GPR183LSSHRH3SLC18A3HTR1A
SCHEMBL13157851 0.95 GPR183 (0.48) GPR183LSSHRH3SLC18A3HTR1A
SCHEMBL13158155 0.92 GPR183 (0.58) GPR183LSSHRH3
SCHEMBL3099510 0.92 GPR183 (0.58) GPR183LSSHRH3
SCHEMBL13157665 0.92 GPR183 (0.58) GPR183LSSHRH3
SCHEMBL3099995 0.90 GPR183 (0.47) GPR183LSSHRH3SLC18A3HTR1A
SCHEMBL13157846 0.90 GPR183 (0.47) GPR183LSSHRH3SLC18A3HTR1A
SCHEMBL3093080 0.89 GPR183 (0.47) GPR183LSSHRH3SLC18A3HTR1A
SCHEMBL13157769 0.89 GPR183 (0.47) GPR183LSSHRH3SLC18A3HTR1A

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
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 GPR183 72/4885LSS 3057/4885HRH3 564/4885

“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.