SCHEMBL4909211

SCHEMBL4909211

CC1CCN(C(=O)c2ccc(Br)c(-c3ccccc3N)c2)c2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRBN Q96SW2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AVPR2 P30518 4/20 0.33
ROCK2 O75116 1/20 0.33
RAB9A P51151 1/20 0.33
AVPR1A P37288 3/20 0.32
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 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
SCHEMBL4912334 0.83 GPBAR1 (0.42) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4907240 0.83 GPBAR1 (0.42) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4904274 0.83 PDE4A (0.47) BRD4KMT2AALDH1A1LMNAROCK2
SCHEMBL4915030 0.83 PDE4A (0.47) BRD4KMT2AALDH1A1LMNAROCK2
SCHEMBL4906946 0.82 GPBAR1 (0.41) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4910029 0.81 GPBAR1 (0.39) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4910164 0.81 ALDH1A1 (0.37) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4912090 0.81 BRD4 (0.37) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4911740 0.81 BRD4 (0.37) BRD4MAPTMAPK1GPBAR1MEN1
SCHEMBL4911884 0.80 SLC22A12 (0.46) BRD4MAPTMAPK1GPBAR1MEN1

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 BRD4 295/4885MAPT 3584/4885MAPK1 1327/4885

“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.