SCHEMBL3105142

SCHEMBL3105142

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(C(=O)c3ccc(Cl)cc3)CC2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALDH1A1 P00352 3/20 0.51
MGLL Q99685 3/20 0.51
HSD17B10 Q99714 2/20 0.51
PHGDH O43175 1/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 3/20 0.51
SLC18A3 Q16572 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AKR1C3 P42330 1/20 0.50
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL13158203 1.00 POLB (0.55) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL13157795 1.00 POLB (0.55) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL3100943 0.94 GPR183 (0.56) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL13157727 0.94 GPR183 (0.56) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL13157702 0.94 GPR183 (0.56) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL3102439 0.94 HSP90AA1 (0.59) POLBALDH1A1MGLLKMT2ASLC18A3
SCHEMBL3098390 0.94 GPR183 (0.56) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL13157715 0.94 HSP90AA1 (0.59) POLBALDH1A1MGLLKMT2ASLC18A3
SCHEMBL13182498 0.93 POLB (0.51) POLBALDH1A1MGLLHSD17B10PHGDH
SCHEMBL3107805 0.93 SLC18A3 (0.48) POLBALDH1A1MGLLHSD17B10PHGDH

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 5 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
US-20060189628-A1 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. 2006-08-24 US disclosed
WO-2006071958-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-06 WO 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 (2 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 3618/4885ALDH1A1 1889/4885MGLL 2345/4885
US-20060189628-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 POLB 3618/4885ALDH1A1 1889/4885MGLL 2345/4885

“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.