SCHEMBL6671678

SCHEMBL6671678

CC(C)Sc1cc(-c2ccc(Cl)cc2Cl)cc2c1OC1CCN(C(=O)O)CC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
CHRM2 P08172 1/20 0.35
DPP4 P27487 4/20 0.35
MCHR1 Q99705 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DAGLA Q9Y4D2 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL6672317 0.91 MGLL (0.39) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6672829 0.90 DPP4 (0.36) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6669036 0.86 MGLL (0.36) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6670748 0.86 MGLL (0.38) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6694684 0.86 MGLL (0.38) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6670063 0.83 MGLL (0.40) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6670911 0.79 MARS1 (0.38) MGLLSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL6669412 0.78 MGLL (0.43) MGLLDPP4MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6671740 0.78 SLC6A2 (0.32) MAPK1KMT2A
SCHEMBL6671671 0.78 SLC6A2 (0.32) MAPK1KMT2A

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 MGLL 3067/4885CHRM2 83/4885DPP4 2209/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MGLL 3067/4885CHRM2 83/4885DPP4 2209/4885

“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.