SCHEMBL4576896

SCHEMBL4576896

O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.51
GRIN1 Q05586 3/20 0.49
GRIN2B Q13224 3/20 0.49
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL4577935 0.90 ALDH1A1 (0.61) CCR3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL4577734 0.85 GRIN1 (0.69) CCR3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL4578305 0.81 CHRNB2 (0.69) CCR3GRIN2BCHRNB2CHRNB4CHRNA3
SCHEMBL4419077 0.81 GRIN1 (0.60) CCR3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL25430141 0.79 TERT (0.62) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31150469 0.79 TERT (0.62) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4577729 0.79 CCR3 (0.59) CCR3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL4773468 0.79 KMT2A (0.56) CCR3ALDH1A1MEN1KMT2ALMNA
SCHEMBL3446674 0.79 GRIN1 (0.74) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4579020 0.78 SMN1; SMN2 (0.60) CCR3GRIN1GRIN2BGRIN2DGRIN3B

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 2 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
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 CCR3 672/4885GRIN1 1/4885GRIN2B 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.