SCHEMBL6669632

SCHEMBL6669632

CC(C)(C)OC(=O)N1CCC2Oc3ccc(Br)cc3C2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.46
FPR2 P25090 6/20 0.42
FPR3 P25089 3/20 0.42
GPR119 Q8TDV5 3/20 0.39
PDE4B Q07343 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL6670085 0.83 OPRM1 (0.37) THRB
SCHEMBL6668708 0.80 CNR1 (0.41) USP30PTPN2PTPN1PTPN6
SCHEMBL12518728 0.79 OPRM1 (0.53) USP30GPR119PDE4BKDM4EMAPT
SCHEMBL6670724 0.79 USP30 (0.42) USP30GPR119
SCHEMBL25170898 0.78 HDAC1 (0.45) USP30GPR119MAPT
SCHEMBL30368816 0.78 HDAC1 (0.45) USP30GPR119MAPT
SCHEMBL2363625 0.78 USP30 (0.39) USP30GPR119PDE4BKDM4EMAPT
SCHEMBL6672883 0.78 MGLL (0.42) USP30GPR119
SCHEMBL9936121 0.77 GPR119 (0.47) USP30FPR2FPR3GPR119PTPN2
SCHEMBL6220238 0.76 USP30 (0.46) USP30FPR2FPR3GPR119PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 WO 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 (2 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A USP30 4736/4885FPR2 179/4885FPR3 96/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A USP30 4736/4885FPR2 179/4885FPR3 96/4885

“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.