SCHEMBL4910062

SCHEMBL4910062

CC1(C)COC(c2ccc(Br)c(C=O)c2)=N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
HRH3 Q9Y5N1 4/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
IL2 P60568 1/20 0.38
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ERN1 O75460 1/20 0.32
HPGD P15428 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
SCHEMBL16264949 0.82 HTT (0.51) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL25342747 0.82 LMNA (0.49) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL8078054 0.81 LMNA (0.46) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL14743593 0.80 HTT (0.49) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL4900960 0.80 LMNA (0.49) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL14743510 0.77 HTT (0.49) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL2727890 0.77 LMNA (0.49) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6245414 0.76 HRH3 (0.50) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL4910720 0.76 HTT (0.46) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL9997018 0.76 LMNA (0.46) LMNAMAPTHTTHRH3CYP2D6

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 LMNA 2104/4885MAPT 3584/4885HTT 4213/4885

“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.