SCHEMBL4902269

SCHEMBL4902269

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 5/20 0.35
PTPN11 Q06124 3/20 0.35
PTPN6 P29350 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTPN1 P18031 4/20 0.35
ESR1 P03372 2/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 4/20 0.33
MAPT P10636 3/20 0.33
BRD4 O60885 1/20 0.32
TSHR P16473 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 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
SCHEMBL4910137 0.86 PDE4A (0.36) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4909173 0.86 PDE4A (0.36) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4910029 0.86 GPBAR1 (0.39) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4910046 0.84 BRD4 (0.36) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4909403 0.82 MAPK14 (0.36) GPBAR1
SCHEMBL4911878 0.80 GPBAR1 (0.34) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4907328 0.80 KDM4E (0.36) GPBAR1MAPK1ALDH1A1KDM4ECYP3A4
SCHEMBL4902302 0.79 TSHR (0.41) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4912334 0.79 GPBAR1 (0.42) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL4907240 0.79 GPBAR1 (0.42) GPBAR1SMN1; SMN2KMT2AMAPK1MAPT

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 PTPN2 1468/4885PTPN11 1125/4885PTPN6 1493/4885

“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.