SCHEMBL4910164

SCHEMBL4910164

CC1CCN(C(=O)c2ccc(Br)c(CO)c2)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
CRBN Q96SW2 2/20 0.35
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
OXTR P30559 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 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
SCHEMBL4912090 0.92 BRD4 (0.37) ALDH1A1LMNANPSR1BRD4MAPT
SCHEMBL4907240 0.86 GPBAR1 (0.42) ALDH1A1LMNANPSR1BRD4MAPT
SCHEMBL4912334 0.86 GPBAR1 (0.42) ALDH1A1LMNANPSR1BRD4MAPT
SCHEMBL4906946 0.84 GPBAR1 (0.41) ALDH1A1LMNANPSR1BRD4MAPT
SCHEMBL4915030 0.83 PDE4A (0.47) ALDH1A1LMNABRD4PDCD1CD274
SCHEMBL4911740 0.83 BRD4 (0.37) ALDH1A1LMNANPSR1BRD4MAPT
SCHEMBL4904274 0.83 PDE4A (0.47) ALDH1A1LMNABRD4PDCD1CD274
SCHEMBL4911884 0.82 SLC22A12 (0.46) ALDH1A1LMNANPSR1BRD4MAPT
SCHEMBL4902490 0.82 AVPR2 (0.50) ALDH1A1LMNANPSR1RAB9AMEN1
SCHEMBL4904747 0.82 BRD4 (0.39) ALDH1A1LMNABRD4MAPTMAPK1

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 ALDH1A1 492/4885LMNA 2104/4885NPSR1 409/4885

“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.