SCHEMBL9959903

SCHEMBL9959903

c1ccc(-n2ncc3c2CCCN3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.40
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL18387722 0.90 USP7 (0.42) USP7SIGMAR1KDM4ENPC1RAB9A
SCHEMBL10124280 0.84 CA1 (0.41) PTGS2PTGS1SIGMAR1KDM4ENPC1
SCHEMBL9959116 0.84 KDM4E (0.37) KDM4EALDH1A1LMNATP53KMT2A
SCHEMBL9958942 0.81 KDM4E (0.37) KDM4EALDH1A1TP53KMT2AL3MBTL1
SCHEMBL10124195 0.75 CYP1A2 (0.39) POLBALDH1A1MAPTGAAHPGD
SCHEMBL9958918 0.74 KDM4E (0.39) KDM4EALDH1A1LMNATP53KMT2A
SCHEMBL7961456 0.73 USP7 (0.51) USP7PTGS2PTGS1SIGMAR1TMEM97
SCHEMBL10124298 0.72 GPR52 (0.34)
SCHEMBL10124295 0.71 KMT2A (0.44) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL15569945 0.70 PLK1 (0.44)

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
EP-2655371-B1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
EP-2655371-A1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-10-30 EP 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
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 USP7 2327/4885PTGS2 1873/4885PTGS1 449/4885

“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.