SCHEMBL13157754

SCHEMBL13157754

Cc1cc(C(=O)N2C[C@@H](O)[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.50
LSS P48449 2/20 0.45
FAAH O00519 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
UTS2R Q9UKP6 1/20 0.41
CXCR3 P49682 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL3111103 1.00 GPR183 (0.50) GPR183LSSFAAHUSP2TSHR
SCHEMBL5815189 0.95 GPR183 (0.46) GPR183LSSFAAHUSP2TSHR
SCHEMBL13157839 0.90 LSS (0.47) GPR183LSSUSP2TSHRBLM
SCHEMBL3096837 0.90 LSS (0.47) GPR183LSSUSP2TSHRBLM
SCHEMBL3109683 0.89 LSS (0.46) GPR183LSSUSP2TSHRBLM
SCHEMBL3089278 0.89 POLB (0.45) GPR183TSHRKDM4EALDH1A1MGLL
SCHEMBL13157739 0.89 POLB (0.45) GPR183TSHRKDM4EALDH1A1MGLL
SCHEMBL13157779 0.89 GPR183 (0.50) GPR183LSSFAAHHRH3
SCHEMBL3098447 0.89 GPR183 (0.50) GPR183LSSFAAHHRH3
SCHEMBL3093221 0.88 GPR183 (0.52) GPR183LSSFAAHHRH3CXCR3

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 6 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-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
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 GPR183 72/4885LSS 3057/4885FAAH 1368/4885

“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.