SCHEMBL3089335

SCHEMBL3089335

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.51
LSS P48449 3/20 0.48
HRH3 Q9Y5N1 5/20 0.43
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 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
SCHEMBL13157929 1.00 GPR183 (0.51) GPR183LSSHRH3MBTD1L3MBTL3
SCHEMBL13158155 0.93 GPR183 (0.58) GPR183LSSHRH3MBTD1L3MBTL3
SCHEMBL13157665 0.93 GPR183 (0.58) GPR183LSSHRH3MBTD1L3MBTL3
SCHEMBL3099510 0.93 GPR183 (0.58) GPR183LSSHRH3MBTD1L3MBTL3
SCHEMBL3092717 0.88 GPR183 (0.51) GPR183LSSHRH3
SCHEMBL13157747 0.88 GPR183 (0.51) GPR183LSSHRH3
SCHEMBL13157931 0.88 SIGMAR1 (0.49) GPR183LSSALDH1A1
SCHEMBL13157721 0.87 GPR183 (0.50) GPR183LSSHRH3
SCHEMBL3088231 0.87 GPR183 (0.50) GPR183LSSHRH3
SCHEMBL13157851 0.86 GPR183 (0.48) GPR183LSSHRH3

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.