SCHEMBL4815248

SCHEMBL4815248

CCOC(=O)/C(C)=N\Nc1ccc2cn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
HIF1A Q16665 2/20 0.53
CYP2D6 P10635 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DHODH Q02127 1/20 0.52
MAPT P10636 8/20 0.46
KDM4E B2RXH2 8/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
APAF1 O14727 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4815250 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4814123 0.91 DHODH (0.64) MEN1KMT2ADHODHMAPTRAB9A
SCHEMBL4814118 0.91 DHODH (0.64) MEN1KMT2ADHODHMAPTRAB9A
SCHEMBL8264572 0.78 ATM (0.51) ALDH1A1CYP1A2CYP2C19HIF1ASMN1; SMN2
SCHEMBL9069899 0.78 DHODH (0.83) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4808892 0.77 MAPT (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4808895 0.77 MAPT (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4811518 0.77 P2RY14 (0.49) CYP3A4SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL4811515 0.77 P2RY14 (0.49) CYP3A4SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL9069863 0.75 SMN1; SMN2 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 ALDH1A1 3399/4885CYP1A2 2574/4885CYP3A4 1884/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B ALDH1A1 3195/4885CYP1A2 2010/4885CYP3A4 1450/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B ALDH1A1 3627/4885CYP1A2 2560/4885CYP3A4 2068/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B ALDH1A1 3307/4885CYP1A2 2638/4885CYP3A4 1874/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C ALDH1A1 1852/4885CYP1A2 2091/4885CYP3A4 1728/4885

“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.