SCHEMBL6670911

SCHEMBL6670911

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.38
MGLL Q99685 2/20 0.37
SPR P35270 3/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 2/20 0.34
CNR1 P21554 2/20 0.34
EPHX2 P34913 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A12 P48065 1/20 0.34
CYP2J2 P51589 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NTSR1 P30989 1/20 0.33
MC4R P32245 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL6672991 0.89 MAPK8 (0.39) MEN1KMT2AALDH1A1CNR1SMN1; SMN2
SCHEMBL6670063 0.83 MGLL (0.40) MGLLSPRMEN1KMT2AALDH1A1
SCHEMBL6672317 0.82 MGLL (0.39) MGLLMEN1KMT2AALDH1A1CNR1
SCHEMBL6694684 0.81 MGLL (0.38) MGLLMEN1KMT2AALDH1A1CNR1
SCHEMBL6669036 0.79 MGLL (0.36) MARS1MGLLMEN1KMT2AALDH1A1
SCHEMBL6670923 0.79 NMT1 (0.36) MARS1MEN1KMT2AHPGD
SCHEMBL6647466 0.79 NMT1 (0.36) MARS1MEN1KMT2AHPGD
SCHEMBL6670748 0.79 MGLL (0.38) MGLLMEN1KMT2AALDH1A1CNR1
SCHEMBL6671678 0.79 MGLL (0.37) MGLLMEN1KMT2AALDH1A1CNR1
SCHEMBL6669412 0.78 MGLL (0.43) MGLLMEN1KMT2AALDH1A1CNR1

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 MARS1 1281/4885MGLL 3067/4885SPR 785/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MARS1 1281/4885MGLL 3067/4885SPR 785/4885

“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.