SCHEMBL15020191

SCHEMBL15020191

CCCCCn1nnc(C(=O)OCC)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15931725 0.95 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL15020158 0.81 KMT2A (0.47) KMT2AMEN1
SCHEMBL18839921 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL9112779 0.80 KMT2A (0.46) KMT2AMEN1
SCHEMBL4677463 0.78 PKM (0.41) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL3988197 0.77 FAAH (0.43) ALDH1A1KMT2APKMATMHSD17B10
SCHEMBL15932119 0.76 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL7507722 0.75 PKM (0.68) ALDH1A1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL18704009 0.74 KMT2A (0.49) ALDH1A1KMT2AMAPTNPSR1
SCHEMBL6167626 0.74 KMT2A (0.40) ALDH1A1KMT2AL3MBTL1PKMATM

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-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
EP-2791130-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS Boehringer Ingelheim International GmbH (DE) 2014-10-22 EP disclosed
WO-2013087805-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 ALDH1A1 3952/4885KMT2A 1410/4885MEN1 4775/4885

“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.