SCHEMBL9955878

SCHEMBL9955878

NC(=O)CC[CH]c1cc(F)cc(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
DGAT1 O75907 1/20 0.31
CNR1 P21554 1/20 0.30
MPO P05164 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
SCHEMBL2401094 0.77 ALDH1A1 (0.53) PKM
SCHEMBL3464493 0.74 KDM4E (0.42) PKM
SCHEMBL20764747 0.73 PTGS1 (0.31)
SCHEMBL613761 0.70 ALDH1A1 (0.46)
SCHEMBL30374708 0.70 ALDH1A1 (0.46)
SCHEMBL14244275 0.70 DGAT1 (0.44) DGAT1
SCHEMBL13358888 0.69 ALDH1A1 (0.52) PKM
SCHEMBL3466272 0.68 KDM1A (0.47)
SCHEMBL13358897 0.68 PKM (0.50) PKM
SCHEMBL3932314 0.67 CA2 (0.39) DGAT1

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 PKM 4210/4885DGAT1 3948/4885CNR1 14/4885

“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.