SCHEMBL4811518

SCHEMBL4811518

CCOC(=O)C(C)=NNc1ccc2nc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.49
EPHX1 P07099 1/20 0.47
QPCT Q16769 4/20 0.46
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
NAMPT P43490 1/20 0.45
CYP3A4 P08684 1/20 0.44
P2RY6 Q15077 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4811515 1.00 P2RY14 (0.49) P2RY14EPHX1QPCTKMT2AATM
SCHEMBL4807755 0.91 GAA (0.42) P2RY14EPHX1QPCTKMT2AATM
SCHEMBL4807762 0.91 GAA (0.42) P2RY14EPHX1QPCTKMT2AATM
SCHEMBL11844716 0.78 P2RY14 (0.54) P2RY14EPHX1QPCTKMT2AATM
SCHEMBL4808895 0.77 MAPT (0.52) KMT2ARAB9APOLBGAAMAPT
SCHEMBL4808892 0.77 MAPT (0.52) KMT2ARAB9APOLBGAAMAPT
SCHEMBL4815248 0.77 ALDH1A1 (0.53) KMT2ACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL4815250 0.77 ALDH1A1 (0.53) KMT2ACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL29618002 0.75 P2RY14 (0.52) P2RY14EPHX1QPCTKMT2AATM
SCHEMBL4814123 0.74 DHODH (0.64) KMT2ANPC1RAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378431-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-27 US disclosed
US-7375116-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-20 US disclosed
US-7365083-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-04-29 US disclosed
US-7361670-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-04-22 US disclosed
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-07-21 US disclosed
US-6919355-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2005-07-19 US disclosed
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113361-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. 2003-10-23 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 (5 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-20050113361-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B P2RY14 332/4885EPHX1 1771/4885QPCT 1391/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B P2RY14 402/4885EPHX1 2380/4885QPCT 2015/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B P2RY14 419/4885EPHX1 2872/4885QPCT 1480/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B P2RY14 349/4885EPHX1 1741/4885QPCT 1401/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C P2RY14 642/4885EPHX1 2385/4885QPCT 1659/4885

“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.