SCHEMBL6670108

SCHEMBL6670108

CC(C)(C)OC(=O)N1CCC2Oc3c(Br)cc(-c4ccc(Cl)cc4Cl)cc3C2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
STS P08842 3/20 0.36
MGLL Q99685 1/20 0.36
PAK1 Q13153 1/20 0.36
USP30 Q70CQ3 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DPP4 P27487 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL6667389 0.87 USP30 (0.40) CNR1CNR2STSPAK1USP30
SCHEMBL6670063 0.86 MGLL (0.40) CNR1CNR2MGLLUSP30MEN1
SCHEMBL6671435 0.86 CNR1 (0.38) CNR1CNR2STSMGLLPAK1
SCHEMBL6668708 0.85 CNR1 (0.41) CNR1CNR2STSMGLLPAK1
SCHEMBL6672991 0.85 MAPK8 (0.39) CNR1STSUSP30MEN1KMT2A
SCHEMBL6216941 0.83 CNR1 (0.39) CNR1CNR2STSPAK1USP30
SCHEMBL5847234 0.77 CNR1 (0.41) CNR1CNR2STSPAK1USP30
SCHEMBL3080435 0.77 CNR1 (0.42) CNR1CNR2STSPAK1USP30
SCHEMBL3080431 0.77 CNR1 (0.42) CNR1CNR2STSPAK1USP30
SCHEMBL6220469 0.76 CNR1 (0.45) CNR1CNR2STSPAK1USP30

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 CNR1 36/4885CNR2 77/4885STS 1948/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A CNR1 36/4885CNR2 77/4885STS 1948/4885

“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.