SCHEMBL6327765

SCHEMBL6327765

O=C(c1nc2c(C(=O)C34CC5CC(CC(C5)C3)C4)cccc2[nH]1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 14/20 0.43
PARP2 Q9UGN5 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL27573152 0.80 CNR2 (0.66) CNR2CNR1LMNAHTTNPC1
SCHEMBL6327766 0.79 CYP1A2 (0.44) CNR2CNR1LMNAHTTNPC1
SCHEMBL8755398 0.70 MMP3 (0.49) CNR2LMNAKDM4E
SCHEMBL7741654 0.69 KDM4E (0.51) CNR2LMNAHTTKDM4ETSHR
SCHEMBL6326095 0.68 PARP1 (0.50) PARP1PARP2
SCHEMBL8952887 0.67 KDM4E (0.62) PARP1KDM4E
SCHEMBL29988822 0.67 CNR2 (0.65) CNR2LMNAHTTNPC1RAB9A
SCHEMBL29989189 0.67 CNR2 (0.65) CNR2LMNARAB9ASMN1; SMN2CYP3A4
SCHEMBL1933246 0.66 PARP1 (0.69) PARP1PARP2
SCHEMBL3911441 0.66 KDM4E (0.48) CNR2HTTKDM4ETSHRHSD17B10

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-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 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 (2 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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 CNR2 3246/4885CNR1 3707/4885LMNA 4668/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 CNR2 3246/4885CNR1 3707/4885LMNA 4668/4885

“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.