SCHEMBL622748

SCHEMBL622748

CC(C)COc1cc(N2CCN(C(=O)CN3C(=O)CCc4ccccc43)CC2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 3/20 0.47
▸ HSD17B10 Q99714 1/20 0.42
▸ DRD2 P14416 6/20 0.41
▸ DRD3 P35462 6/20 0.41
▸ DRD4 P21917 5/20 0.41
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL622878 0.86 MEN1 (0.55) CXCR3TP53POLBKDM4ELMNA
SCHEMBL624184 0.86 CXCR3 (0.47) CXCR3HSD17B10DRD2DRD3DRD4
SCHEMBL622224 0.81 HSD17B10 (0.44) HSD17B10DRD3LMNA
SCHEMBL622297 0.80 HSD17B10 (0.45) HSD17B10LMNA
SCHEMBL624215 0.79 LMNA (0.42) HSD17B10POLBKDM4ELMNA
SCHEMBL624464 0.77 KMT2A (0.54) POLBMAPTKDM4ELMNA
SCHEMBL624044 0.76 CKS1B (0.41) POLB
SCHEMBL624198 0.75 ALDH1A1 (0.58) HSD17B10POLBMAPTKDM4ELMNA
SCHEMBL623295 0.75 KDM4E (0.55) HSD17B10TP53MAPTKDM4ELMNA
SCHEMBL15006743 0.75 KMT2A (0.50) DRD3POLBMAPTKDM4ELMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US claimed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 — — WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 — — 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G CXCR3 3394/4885HSD17B10 2375/4885DRD2 2482/4885

“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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