SCHEMBL10124062

SCHEMBL10124062

O=C1CCc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.55
CA4 P22748 11/20 0.55
CA2 P00918 10/20 0.55
CA9 Q16790 9/20 0.55
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
PDK2 Q15119 1/20 0.40
MAPK14 Q16539 1/20 0.40
PLK1 P53350 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL10124052 0.91 CA1 (0.67) CA1CA4CA2CA9KDM4E
SCHEMBL19031814 0.75 CA1 (0.72) CA1CA4CA2CA9ALDH1A1
SCHEMBL3133796 0.74 CA1 (0.63) CA1CA4CA2CA9KDM4E
SCHEMBL2512530 0.74 CA1 (0.67) CA1CA4CA2CA9KDM4E
SCHEMBL10124076 0.74 KMT2A (0.45) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28352674 0.72 HSD11B1 (0.51) CA1CA4CA2CA9KDM4E
SCHEMBL12294731 0.72 CA1 (0.58) CA1CA4CA2CA9ALDH1A1
SCHEMBL17583960 0.71 CA1 (0.64) CA1CA4CA2CA9HTT
SCHEMBL14985286 0.71 HTT (0.51) CA1CA4CA2CA9KDM4E
SCHEMBL19594173 0.70 PDK2 (0.47) KDM4EKMT2AMEN1PDK2TP53

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
EP-2655371-B1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012087782-A1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CA1 2076/4885CA4 3405/4885CA2 3581/4885

“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.