SCHEMBL4911944

SCHEMBL4911944

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(C(=O)OCCCN3CCN(C)CC3)c2)c2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.41
HRH3 Q9Y5N1 4/20 0.41
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
DRD2 P14416 5/20 0.37
DRD4 P21917 1/20 0.37
MAP3K11 Q16584 1/20 0.36
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 1/20 0.35
OXTR P30559 1/20 0.35
AVPR2 P30518 3/20 0.35
MAPK14 Q16539 2/20 0.35
AVPR1A P37288 1/20 0.34
AVPR1B P47901 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
SCHEMBL4909920 0.96 ACHE (0.42) DRD3HRH3ACHEHTR4DRD2
SCHEMBL4910784 0.96 HRH3 (0.39) DRD3HRH3ACHEHTR4DRD2
SCHEMBL4911755 0.93 HRH3 (0.37) DRD3HRH3ACHEHTR4DRD2
SCHEMBL4915255 0.90 DRD2 (0.40) DRD3HRH3ACHEHTR4DRD2
SCHEMBL4909403 0.90 MAPK14 (0.36) OXTRMAPK14
SCHEMBL4910877 0.90 DRD2 (0.40) DRD3HRH3ACHEHTR4DRD2
SCHEMBL4933826 0.90 MAPK14 (0.37) DRD3DRD2OXTRMAPK14
SCHEMBL4933816 0.90 MAPK14 (0.37) DRD3DRD2OXTRMAPK14
SCHEMBL4914320 0.89 ALDH1A1 (0.37) DRD3HRH3ACHEHTR4DRD2
SCHEMBL14258848 0.89 OXTR (0.36) OXTRAVPR2MAPK14

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 3 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

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 DRD3 176/4885HRH3 734/4885ACHE 4657/4885

“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.