SCHEMBL4579190

SCHEMBL4579190

O=C(CNc1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.62
GRIN2B Q13224 7/20 0.53
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 1/20 0.47
ROCK2 O75116 2/20 0.47
CCR2 P41597 1/20 0.47
ROCK1 Q13464 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL4577779 0.92 CCR3 (0.64) CCR3GRIN2BGRIN1ROCK2CCR2
SCHEMBL4577575 0.90 GRIN2B (0.55) CCR3GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL4576934 0.85 GRIN2B (0.68) CCR3GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL4576718 0.82 GRIN2B (0.60) CCR3GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL4579161 0.81 CCR3 (0.71) CCR3GRIN2BROCK2ROCK1
SCHEMBL4580802 0.81 GRIN1 (0.73) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27608834 0.80 FAAH (0.52) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4777243 0.80 GRIN2B (0.63) CCR3GRIN2BGRIN1
Hydrochloric Acid SCHEMBL4578850 0.80 GRIN1 (0.71) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4577310 0.79 FAAH (0.68) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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 CCR3 672/4885GRIN2B 7/4885GRIN2D 2/4885

“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.