SCHEMBL3096837

SCHEMBL3096837

Cc1cc(C(=O)N2CC(O)C(N3CCN(Cc4ccc(Cl)cc4)CC3)C2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.47
GPR183 P32249 2/20 0.47
CXCR3 P49682 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
F10 P00742 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13157839 1.00 LSS (0.47) LSSGPR183CXCR3USP2TSHR
SCHEMBL3109683 0.91 LSS (0.46) LSSGPR183USP2TSHRBLM
SCHEMBL3111103 0.90 GPR183 (0.50) LSSGPR183CXCR3USP2TSHR
SCHEMBL13157754 0.90 GPR183 (0.50) LSSGPR183CXCR3USP2TSHR
SCHEMBL5815189 0.90 GPR183 (0.46) LSSGPR183CXCR3USP2TSHR
SCHEMBL5818891 0.89 ALDH1A1 (0.54) LSSGPR183MEN1KMT2ABLM
SCHEMBL13157835 0.89 POLB (0.47) GPR183TSHRKMT2AKDM4EALDH1A1
SCHEMBL3100244 0.89 POLB (0.47) GPR183TSHRKMT2AKDM4EALDH1A1
SCHEMBL13157665 0.88 GPR183 (0.58) LSSGPR183L3MBTL1
SCHEMBL13158155 0.88 GPR183 (0.58) LSSGPR183L3MBTL1

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 LSS 3057/4885GPR183 72/4885CXCR3 5/4885

“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.