SCHEMBL4579336

SCHEMBL4579336

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.74
ROCK2 O75116 3/20 0.64
ROCK1 Q13464 3/20 0.64
GRIN2B Q13224 8/20 0.63
ALDH1A1 P00352 1/20 0.61
CCR2 P41597 2/20 0.60
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
GRIN1 Q05586 2/20 0.57

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
SCHEMBL4579161 0.92 CCR3 (0.71) CCR3ROCK2ROCK1GRIN2BALDH1A1
SCHEMBL4578305 0.90 CHRNB2 (0.69) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL6702434 0.85 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL5419708 0.84 ROCK2 (0.75) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL6701940 0.83 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL4577729 0.83 CCR3 (0.59) CCR3GRIN2BALDH1A1CHRNB2CHRNB4
SCHEMBL4577779 0.81 CCR3 (0.64) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL5413607 0.81 CHRNB2 (0.66) ROCK2ROCK1ALDH1A1CCR2CHRNB2
SCHEMBL4551769 0.81 GRIN1 (0.71) GRIN2BALDH1A1GRIN1
SCHEMBL4577935 0.80 ALDH1A1 (0.61) CCR3GRIN2BALDH1A1GRIN1

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 6 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
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN 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 672/4885ROCK2 4291/4885ROCK1 3751/4885

“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.