SCHEMBL3100244

SCHEMBL3100244

Cc1cc(C(=O)N2CC(O)C(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)C2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GPR183 P32249 2/20 0.44
LMNA P02545 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
KMT2A Q03164 2/20 0.43
MGLL Q99685 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC18A3 Q16572 1/20 0.42
PHGDH O43175 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
SCHEMBL13157835 1.00 POLB (0.47) POLBGPR183LMNAUBE2MDCUN1D1
SCHEMBL13158012 0.90 POLB (0.46) POLBLMNAUBE2MDCUN1D1KMT2A
SCHEMBL3108317 0.90 POLB (0.46) POLBLMNAUBE2MDCUN1D1KMT2A
SCHEMBL3089278 0.89 POLB (0.45) POLBGPR183LMNAUBE2MDCUN1D1
SCHEMBL13157739 0.89 POLB (0.45) POLBGPR183LMNAUBE2MDCUN1D1
SCHEMBL5819416 0.89 MGLL (0.41) POLBGPR183LMNAUBE2MDCUN1D1
SCHEMBL13157839 0.89 LSS (0.47) POLBGPR183KMT2AALDH1A1TSHR
SCHEMBL3096837 0.89 LSS (0.47) POLBGPR183KMT2AALDH1A1TSHR
SCHEMBL3105142 0.88 POLB (0.55) POLBLMNAKMT2AMGLLALDH1A1
SCHEMBL13158203 0.88 POLB (0.55) POLBLMNAKMT2AMGLLALDH1A1

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 3 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
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 POLB 3618/4885GPR183 72/4885LMNA 4727/4885

“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.