SCHEMBL4906777

SCHEMBL4906777

COC(=O)c1ccc(Br)c(CN2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
ALDH1A1 P00352 5/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MGLL Q99685 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 5/20 0.50
CYP2A13 Q16696 1/20 0.50
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL6594333 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL1421327 0.86 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL20496747 0.86 MAPK1 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL27831975 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL21639569 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL20496749 0.85 ALDH1A1 (0.64) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL4909115 0.84 CYP2A13 (0.55) ALDH1A1HPGDALOX15HSD17B10KMT2A
SCHEMBL2781032 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL221971 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL2252952 0.82 ALDH1A1 (0.61) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10857155-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2020-12-08 US disclosed
US-10406165-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-09-10 US disclosed
WO-2018169777-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2018-09-20 WO disclosed
US-20180264000-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2018-09-20 US disclosed
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 (4 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 SMN1; SMN2 2287/4885MAPK1 1327/4885HCRTR1 2600/4885
US-20180264000-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF GSPT1, GSPT2, GGT1 SMN1; SMN2 517/4885MAPK1 1882/4885HCRTR1 1623/4885
US-10857155-B2 Compounds targeting proteins, compositions, methods, and uses thereof GSPT1, GSPT2, GGT1 SMN1; SMN2 517/4885MAPK1 1882/4885HCRTR1 1623/4885
US-10406165-B2 Compounds targeting proteins, compositions, methods, and uses thereof GSPT1, GSPT2, GGT1 SMN1; SMN2 517/4885MAPK1 1882/4885HCRTR1 1623/4885

“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.