SCHEMBL1922045

SCHEMBL1922045

Cc1cc(Br)ccc1CCC=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.41
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ERN1 O75460 1/20 0.32
KDM4E B2RXH2 5/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 4/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14405277 0.81 SMN1; SMN2 (0.36) ERN1KDM4ELMNAKMT2AMEN1
SCHEMBL585890 0.81 KDM4E (0.40) PYCR1KDM4ELMNAKMT2AMEN1
SCHEMBL7591050 0.81 HSP90AA1 (0.39) PYCR1CA1CA2ERN1ALDH1A1
SCHEMBL2223090 0.81 PYCR1 (0.44) PYCR1CA1CA2ERN1KDM4E
SCHEMBL24753988 0.81 PYCR1 (0.39) PYCR1CA1CA2KDM4EKDM5A
SCHEMBL28905408 0.78 KDM4E (0.39) PYCR1CA1CA2KDM4ELMNA
SCHEMBL13802056 0.78 TYR (0.41) KMT2AMEN1MAPTTSHR
SCHEMBL2145125 0.78 PDPK1 (0.48) PYCR1
SCHEMBL17713325 0.78 PYCR1 (0.41) PYCR1ERN1LMNAKMT2AMEN1
SCHEMBL15660236 0.78 ERN1 (0.44) CA1CA2ERN1ALDH1A1HPGD

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-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 EP disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 PYCR1 385/4885CA1 4813/4885CA2 2587/4885

“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.