SCHEMBL4914320

SCHEMBL4914320

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(C(=O)OCCN3CCOCC3)c2)c2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OXTR P30559 1/20 0.35
ATM Q13315 1/20 0.35
LTA4H P09960 1/20 0.34
MAPK14 Q16539 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
AVPR2 P30518 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRKCQ Q04759 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
SCHEMBL4911755 0.96 HRH3 (0.37) ALDH1A1DRD2DRD3MAPTHSD17B10
SCHEMBL4910784 0.93 HRH3 (0.39) DRD2DRD3OXTRLTA4HMAPK14
SCHEMBL4907011 0.90 DRD2 (0.41) ALDH1A1DRD2DRD3L3MBTL1MAPT
SCHEMBL4907246 0.90 DRD2 (0.41) ALDH1A1DRD2DRD3L3MBTL1MAPT
SCHEMBL4904408 0.90 DRD2 (0.41) ALDH1A1DRD2DRD3L3MBTL1MAPT
SCHEMBL4911944 0.89 DRD3 (0.41) DRD2DRD3OXTRMAPK14ACHE
SCHEMBL4909920 0.89 ACHE (0.42) DRD2DRD3OXTRMAPK14ACHE
SCHEMBL4912744 0.89 MAPK14 (0.38) OXTRMAPK14
SCHEMBL4907941 0.88 USP2 (0.42) ALDH1A1DRD2DRD3L3MBTL1MAPT
SCHEMBL4901752 0.88 USP2 (0.42) ALDH1A1DRD2DRD3L3MBTL1MAPT

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 4 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
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
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 ALDH1A1 492/4885DRD2 170/4885DRD3 176/4885

“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.