SCHEMBL3516397

SCHEMBL3516397

O=[C]C1COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CYP19A1 P11511 3/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 2/20 0.36
HCRTR2 O43614 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL97553 0.81 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL4524534 0.80 IMPDH2 (0.41) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL5541762 0.72 LTB4R (0.47) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL18570198 0.68 LTB4R (0.43) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL8086768 0.68 LTB4R (0.43) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL24090507 0.68 LTB4R (0.43) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL507362 0.68 LTB4R (0.43) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL691833 0.68 LTB4R (0.43) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL19268289 0.68 LTB4R (0.51) LTB4RLTB4R2CYP19A1DRD2DRD3
SCHEMBL10820255 0.68 LTB4R (0.43) LTB4RLTB4R2CYP19A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254873-B1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2014-06-04 EP disclosed
US-8664217-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. 2013-02-14 US disclosed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 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 (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-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 LTB4R 630/4885LTB4R2 762/4885CYP19A1 519/4885
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 LTB4R 630/4885LTB4R2 762/4885CYP19A1 519/4885

“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.