SCHEMBL9959902

SCHEMBL9959902

c1nn(C2CCCCC2)c2c1NCCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
PDE9A O76083 6/20 0.34
CNR2 P34972 1/20 0.33
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE7A Q13946 1/20 0.31
TSHR P16473 1/20 0.31
S1PR1 P21453 1/20 0.31
NR3C2 P08235 1/20 0.30

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
SCHEMBL10124518 0.98 HSD11B1 (0.33) HSD11B1PDE9ACNR2PKMMEN1
SCHEMBL3771294 0.73 HSD11B1 (0.38) HSD11B1PDE9ACNR2PKMALDH1A1
SCHEMBL3764595 0.73 HSD11B1 (0.38) HSD11B1PDE9ACNR2PKMALDH1A1
SCHEMBL15569945 0.70 PLK1 (0.44)
SCHEMBL31739495 0.70 HTR2C (0.33) HSD11B1PKMMEN1ALDH1A1MAPT
SCHEMBL3772552 0.69 HSD11B1 (0.35) HSD11B1PDE9ACNR2PKMALOX15
SCHEMBL23852144 0.68 BTK (0.35) HSD11B1PDE9ACNR2PKMMEN1
SCHEMBL30793500 0.68 ALOX15 (0.32) PKMMEN1ALDH1A1MAPTALOX15
SCHEMBL5469025 0.67 PLK1 (0.44)
SCHEMBL21672584 0.67 HSD11B1 (0.32) HSD11B1

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 11 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-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-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
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
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 HSD11B1 2283/4885PDE9A 1895/4885CNR2 36/4885

“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.