SCHEMBL4576718

SCHEMBL4576718

O=C(CNc1ccc2[nH]ncc2c1)N1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 10/20 0.60
▸ CCR3 P51677 4/20 0.53
▸ ROCK2 O75116 1/20 0.52
▸ CCR2 P41597 1/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL4577575 0.92 GRIN2B (0.55) GRIN2BCCR3GRIN1GRIN2DGRIN3B
SCHEMBL4577779 0.90 CCR3 (0.64) GRIN2BCCR3ROCK2CCR2ROCK1
SCHEMBL4579190 0.82 CCR3 (0.62) GRIN2BCCR3ROCK2CCR2ROCK1
SCHEMBL4578305 0.82 CHRNB2 (0.69) GRIN2BCCR3ROCK2CCR2ROCK1
SCHEMBL4576692 0.81 GRIN1 (0.74) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL27590237 0.81 GRIN1 (0.52) GRIN2BCCR3GRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4578053 0.80 GRIN1 (0.72) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4576904 0.79 GRIN1 (0.75) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4420713 0.78 GRIN1 (0.75) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4577518 0.78 GRIN2B (0.69) GRIN2BCCR3GRIN1GRIN2DGRIN3B

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 3 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

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 GRIN2B 7/4885CCR3 672/4885ROCK2 4291/4885

“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.

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