SCHEMBL4906989

SCHEMBL4906989

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(OCCCN3CCC(N4CCOCC4)CC3)c2)c2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
USP2 O75604 1/20 0.37
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
OXTR P30559 2/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CCR3 P51677 1/20 0.35
CHRM2 P08172 1/20 0.35
LTA4H P09960 1/20 0.34
DRD4 P21917 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4907941 0.95 USP2 (0.42) HRH3USP2ACHEHTR4OXTR
SCHEMBL4901752 0.95 USP2 (0.42) HRH3USP2ACHEHTR4OXTR
SCHEMBL4911940 0.93 USP2 (0.40) HRH3USP2ACHEHTR4OXTR
SCHEMBL4907069 0.92 USP2 (0.39) HRH3USP2ACHEHTR4DRD2
SCHEMBL4907011 0.91 DRD2 (0.41) HRH3USP2OXTRDRD2DRD3
SCHEMBL4907246 0.91 DRD2 (0.41) HRH3USP2OXTRDRD2DRD3
SCHEMBL4904408 0.91 DRD2 (0.41) HRH3USP2OXTRDRD2DRD3
SCHEMBL4910204 0.91 ACHE (0.41) HRH3ACHEHTR4OXTRDRD2
SCHEMBL4909937 0.89 ACHE (0.40) HRH3ACHEHTR4OXTRDRD2
SCHEMBL4909190 0.89 ACHE (0.41) ACHEHTR4OXTRDRD2DRD3

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
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
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 HRH3 734/4885USP2 4609/4885ACHE 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.