SCHEMBL4909403

SCHEMBL4909403

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(C(=O)OCCCBr)c2)c2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.36
OXTR P30559 1/20 0.35
GHSR Q92847 11/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL4933816 0.92 MAPK14 (0.37) MAPK14OXTRGHSRGPBAR1
SCHEMBL4933826 0.92 MAPK14 (0.37) MAPK14OXTRGHSRGPBAR1
SCHEMBL14258848 0.92 OXTR (0.36) MAPK14OXTRGHSRGPBAR1
SCHEMBL4912744 0.91 MAPK14 (0.38) MAPK14OXTRGHSRGPBAR1
SCHEMBL4908666 0.91 OXTR (0.35) MAPK14OXTRGHSRGPBAR1
SCHEMBL14432384 0.90 CTSK (0.34) MAPK14OXTRGHSRGPBAR1
SCHEMBL4909920 0.90 ACHE (0.42) MAPK14OXTR
SCHEMBL4911944 0.90 DRD3 (0.41) MAPK14OXTR
SCHEMBL14432255 0.90 MAPK14 (0.36) MAPK14OXTRGHSRGPBAR1
SCHEMBL14258886 0.90 KDR (0.39) MAPK14OXTRGHSRGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 MAPK14 1799/4885OXTR 908/4885GHSR 405/4885

“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.