SCHEMBL5884155

SCHEMBL5884155

Fc1ccc(Oc2ccc(-c3nc4ccccc4n3CCN3CCCCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.60
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
ESR1 P03372 1/20 0.55
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIN1 Q13526 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 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
SCHEMBL5883742 0.92 DRD2 (0.62) SCN9ADRD2DRD3ESR1KDM4E
SCHEMBL6142233 0.85 KCNH2 (0.64) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL5883813 0.82 HDAC1 (0.57) DRD2DRD3ESR1KDM4ETSHR
Hydrochloric Acid SCHEMBL8021990 0.82 P2RX7 (0.58) DRD2DRD3ESR1KDM4EALDH1A1
SCHEMBL5884145 0.79 NPY1R (0.55) SCN9ADRD2DRD3KDM4EALDH1A1
SCHEMBL5883743 0.79 HDAC1 (0.51) SCN9ADRD2DRD3ESR1LMNA
SCHEMBL5883766 0.77 HDAC1 (0.52) DRD2DRD3ESR1OPRM1OPRD1
SCHEMBL5883566 0.77 LTA4H (0.52) DRD2DRD3ESR1OPRM1OPRD1
SCHEMBL29056560 0.76 P2RX7 (0.67) DRD2DRD3ESR1OPRK1KDM4E
SCHEMBL16699112 0.75 SCN9A (1.00) SCN9AALDH1A1MEN1KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US claimed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP claimed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US claimed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US disclosed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP disclosed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US disclosed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 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-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A SCN9A 61/4885DRD2 1360/4885DRD3 948/4885

“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.