SCHEMBL6152950

SCHEMBL6152950

CC1(c2ccc(C#N)cc2)CC(Nc2ncc(Br)cn2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
MAOB P27338 2/20 0.33
CYP11B2 P19099 1/20 0.32
IGF1R P08069 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
TNKS O95271 3/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CNR2 P34972 1/20 0.31
MAPK1 P28482 2/20 0.30
BACE1 P56817 1/20 0.30
PGR P06401 2/20 0.30
KDM1A O60341 2/20 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
SCHEMBL6152730 0.81 JAK2 (0.36) CNR2PGR
SCHEMBL6152556 0.81 TNKS (0.33) IGF1RTNKSCNR2
SCHEMBL6153035 0.77 ALDH1A1 (0.39) MAPK1
SCHEMBL6152057 0.68 MEN1 (0.41)
SCHEMBL5779413 0.68 BRD4 (0.34) HDAC6MAPK1
SCHEMBL5777360 0.61 RAB9A (0.35) MAPK1
SCHEMBL5775523 0.61 KDM4E (0.35) HDAC6MAPK1
SCHEMBL5775180 0.61 HCRTR1 (0.31)
SCHEMBL23519606 0.61 IDH1 (0.41) HDAC6
SCHEMBL29878486 0.61 IDH1 (0.41) HDAC6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1551832-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
EP-1281703-B1 Process for the preparation of 5-alkoxy-oxazoles as well as of pyridoxines BASF AG (DE) 2005-01-26 EP disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
WO-2004031185-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
EP-1281703-A1 Process for the preparation of 5-alkoxy-oxazoles as well as of pyridoxines BASF AKTIENGESELLSCHAFT (DE) 2003-02-05 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP GRM5 1055/4885MAOB 1790/4885CYP11B2 1179/4885

“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.