SCHEMBL4579161

SCHEMBL4579161

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.71
ALDH1A1 P00352 2/20 0.61
GRIN2B Q13224 6/20 0.57
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL4579336 0.92 CCR3 (0.74) CCR3ALDH1A1GRIN2BROCK2ROCK1
SCHEMBL4577729 0.90 CCR3 (0.59) CCR3ALDH1A1GRIN2BUSP2TSHR
SCHEMBL4576934 0.84 GRIN2B (0.68) CCR3GRIN2B
SCHEMBL6702253 0.83 CCR3 (1.00) CCR3GRIN2BROCK2ROCK1
SCHEMBL4578305 0.83 CHRNB2 (0.69) CCR3GRIN2BROCK2ROCK1
SCHEMBL4579190 0.81 CCR3 (0.62) CCR3GRIN2BROCK2ROCK1
SCHEMBL4551769 0.81 GRIN1 (0.71) ALDH1A1GRIN2BKDM4ELMNAL3MBTL1
SCHEMBL6702373 0.80 CCR3 (1.00) CCR3GRIN2BROCK2ROCK1SMN1; SMN2
SCHEMBL28599359 0.79 KDM4E (0.71) CCR3ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL4777243 0.79 GRIN2B (0.63) CCR3GRIN2B

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 672/4885ALDH1A1 1856/4885GRIN2B 7/4885

“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.