SCHEMBL6672991

SCHEMBL6672991

CC(C)(C)OC(=O)N1CCC2Oc3c(Cc4ccccc4)cc(-c4ccc(Cl)cc4Cl)cc3C2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
USP30 Q70CQ3 5/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CNR1 P21554 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37

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
SCHEMBL6670911 0.89 MARS1 (0.38) CNR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6671435 0.88 CNR1 (0.38) MAPK8CNR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6670108 0.85 CNR1 (0.39) USP30CNR1ALDH1A1MEN1KMT2A
SCHEMBL6667389 0.82 USP30 (0.40) USP30GPR119CNR1SMN1; SMN2KMT2A
SCHEMBL6668708 0.80 CNR1 (0.41) USP30CNR1ALDH1A1MEN1KMT2A
SCHEMBL6647466 0.74 NMT1 (0.36) MEN1KMT2A
SCHEMBL6670923 0.74 NMT1 (0.36) MEN1KMT2A
SCHEMBL6672317 0.73 MGLL (0.39) USP30CNR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6670063 0.73 MGLL (0.40) USP30CNR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5847234 0.72 CNR1 (0.41) USP30GPR119CNR1ALDH1A1MEN1

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 MAPK8 4559/4885USP30 4736/4885JAK2 979/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MAPK8 4559/4885USP30 4736/4885JAK2 979/4885

“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.