SCHEMBL4910137

SCHEMBL4910137

C[C@@H]1CCN(C(=O)c2ccc(Br)c(OCCCBr)c2)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ROCK2 O75116 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDCD1 Q15116 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
MAPK1 P28482 2/20 0.34
BRD4 O60885 2/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4909173 1.00 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4904249 0.89 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4905965 0.88 HTR1D (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4912250 0.88 HTR1D (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4911669 0.88 KDM4E (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4907074 0.87 KMT2A (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4915070 0.87 AVPR2 (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4910198 0.87 ALDH1A1 (0.44) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL4902269 0.86 PTPN2 (0.35) ALDH1A1MAPTHPGDPOLBTSHR
SCHEMBL4915030 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1

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 1 patent. 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

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 PDE4A 2283/4885PDE4B 1460/4885PDE4C 3220/4885

“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.