SCHEMBL3097700

SCHEMBL3097700

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(C(=O)c3ccc(Br)c(F)c3)CC2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.45
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.42
SLC18A3 Q16572 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GPR183 P32249 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 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
SCHEMBL13157776 1.00 MGLL (0.45) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL13157942 1.00 MGLL (0.45) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL3097688 1.00 MGLL (0.45) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL13157849 0.91 KMT2A (0.52) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL3100951 0.91 KMT2A (0.52) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL3098323 0.91 KMT2A (0.52) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL13157952 0.91 KMT2A (0.52) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL13157762 0.89 MGLL (0.45) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL3104941 0.89 MGLL (0.45) MGLLHSP90AA1KMT2AMEN1POLB
SCHEMBL13157779 0.89 GPR183 (0.50) SLC18A3GPR183

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
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 (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 MGLL 2345/4885HSP90AA1 3474/4885KMT2A 4425/4885

“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.