SCHEMBL4904291

SCHEMBL4904291

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HTR4 Q13639 2/20 0.34
CTNNB1 P35222 3/20 0.34
WNT3A P56704 3/20 0.34
OXTR P30559 1/20 0.34
GHSR Q92847 8/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MAPK14 Q16539 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4910140 0.90 ACHE (0.37) ACHEHTR4CTNNB1WNT3AOXTR
SCHEMBL4912067 0.90 MAPK14 (0.37) ACHEHTR4CTNNB1WNT3AOXTR
SCHEMBL14432421 0.88 ACHE (0.36) ACHEHTR4CTNNB1WNT3AOXTR
SCHEMBL4904517 0.88 OXTR (0.37) ACHEHTR4CTNNB1WNT3AOXTR
SCHEMBL4904294 0.87 GHSR (0.34) OXTRGHSRGPBAR1MAPK14
SCHEMBL5242825 0.84 OXTR (0.40) OXTRGHSRGPBAR1MAPK14
SCHEMBL4933816 0.83 MAPK14 (0.37) OXTRGHSRGPBAR1MAPK14
SCHEMBL4933826 0.83 MAPK14 (0.37) OXTRGHSRGPBAR1MAPK14
SCHEMBL4912289 0.83 AR (0.41) OXTRGHSRGPBAR1MAPK14
SCHEMBL4909403 0.82 MAPK14 (0.36) OXTRGHSRGPBAR1MAPK14

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 2 patents. 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
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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 ACHE 4657/4885HTR4 390/4885CTNNB1 906/4885

“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.