SCHEMBL5239537

SCHEMBL5239537

COc1cc(Br)c(N)c(OC)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
HTR2A P28223 8/20 0.37
TAAR1 Q96RJ0 3/20 0.37
HTR2C P28335 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
PRKDC P78527 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL31503724 0.84 MAPT (0.53) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL24572813 0.79 MAPT (0.48) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL4326648 0.77 CA2 (0.52) MAPTNPSR1POLBL3MBTL1TSHR
SCHEMBL18935874 0.74 MAPT (0.68) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL5048480 0.74 NPC1 (0.52) MAPTPOLBL3MBTL1TSHRGAA
SCHEMBL5650514 0.74 NPC1 (0.52) MAPTPOLBL3MBTL1TSHRGAA
SCHEMBL27185258 0.74 MAPT (0.55) MAPTNPSR1POLBL3MBTL1TSHR
SCHEMBL16047636 0.72 MAPT (0.53) MAPTNPSR1POLBL3MBTL1TSHR
SCHEMBL5660899 0.72 POLB (0.47) MAPTNPSR1POLBL3MBTL1TSHR
SCHEMBL30254383 0.72 MAPT (0.53) MAPTNPSR1POLBL3MBTL1TSHR

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
CN-101238131-A Bridged piperazine and piperidine derivatives as CCR1 antagonists NOVARTIS AG (CH) 2008-08-06 CN disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
EP-1794164-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2005103054-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCRI ANTAGONISTS NOVARTIS AG (CH) 2005-11-03 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-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 MAPT 2220/4885NPSR1 665/4885POLB 3482/4885

“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.