SCHEMBL4577384

SCHEMBL4577384

CC(C)(C)OC(=O)Nc1nc2ccc(N)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
TUBB4A P04350 6/20 0.51
TUBB P07437 6/20 0.51
TUBA3C P0DPH7 6/20 0.51
TUBA1B P68363 6/20 0.51
TUBA4A P68366 6/20 0.51
TUBB4B P68371 6/20 0.51
TUBB3 Q13509 6/20 0.51
TUBB2A Q13885 6/20 0.51
TUBB8 Q3ZCM7 6/20 0.51
TUBA3E Q6PEY2 6/20 0.51
TUBA1A Q71U36 6/20 0.51
TUBA1C Q9BQE3 6/20 0.51
TUBB6 Q9BUF5 6/20 0.51
TUBB2B Q9BVA1 6/20 0.51
TUBB1 Q9H4B7 6/20 0.51
LMNA P02545 8/20 0.49
CYP1A2 P05177 6/20 0.49
HIF1A Q16665 5/20 0.49
KDR P35968 3/20 0.49

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
SCHEMBL4590946 0.95 LCK (0.57) LCKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4576964 0.90 LCK (0.53) LCKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5351444 0.87 LMNA (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31721205 0.84 LCK (0.69) LCKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31721196 0.82 LCK (0.68) LCKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13609711 0.81 BCHE (0.69) LCKLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5355863 0.81 LMNA (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4577352 0.81 CSNK1D (0.57) LCKKDRSMN1; SMN2ALDH1A1ABL1
SCHEMBL31388533 0.79 MAPT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15584882 0.79 CACNA1H (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR

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
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C LCK 2183/4885TUBB4A 2853/4885TUBB 1816/4885

“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.