SCHEMBL15769716

SCHEMBL15769716

CC(C)(C)OC(=O)N1CCC(=O)C(Sc2ccc(Br)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.47
FPR2 P25090 5/20 0.46
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
FPR3 P25089 2/20 0.42
RORC P51449 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15781360 0.90 GPR119 (0.46) GPR119FPR2MAPTKDM4ETHRB
SCHEMBL15781353 0.90 RORC (0.44) GPR119FPR2FPR3RORC
SCHEMBL25898943 0.88 GPR119 (0.53) GPR119MAPTKDM4ETHRBPTPN2
SCHEMBL15769506 0.87 GPR119 (0.43) GPR119FPR2MAPTKDM4ETHRB
SCHEMBL4519004 0.85 ALDH1A1 (0.49) MAPTKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL5440270 0.84 GPR119 (0.54) GPR119FPR2MAPTKDM4ETHRB
SCHEMBL15781404 0.83 FPR2 (0.45) GPR119FPR2MAPTFPR3RORC
SCHEMBL15769035 0.83 FPR2 (0.45) GPR119FPR2FPR3RORC
SCHEMBL15769660 0.82 DDB1 (0.37) MAPTALDH1A1HTTRAB9AL3MBTL1
SCHEMBL25899021 0.81 HPGDS (0.47) GPR119MAPTKDM4ETHRB

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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 GPR119 76/4885FPR2 763/4885MAPT 2133/4885

“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.