SCHEMBL6669036

SCHEMBL6669036

CCCSc1cc(-c2ccc(Cl)cc2Cl)cc2c1OC1CCN(C(=O)O)CC21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
DPP4 P27487 5/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PROKR1 Q8TCW9 2/20 0.32
MARS1 P56192 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MCHR1 Q99705 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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 0.89 MGLL (0.39) MGLLDPP4ALDH1A1LMNAHPGD
SCHEMBL6671678 0.86 MGLL (0.37) MGLLDPP4ALDH1A1LMNAHPGD
SCHEMBL6672829 0.85 DPP4 (0.36) MGLLDPP4ALDH1A1LMNAHPGD
SCHEMBL6670748 0.84 MGLL (0.38) MGLLDPP4ALDH1A1LMNAHPGD
SCHEMBL6694684 0.84 MGLL (0.38) MGLLDPP4ALDH1A1LMNAHPGD
SCHEMBL6670063 0.82 MGLL (0.40) MGLLDPP4ALDH1A1LMNAHPGD
SCHEMBL6670911 0.79 MARS1 (0.38) MGLLALDH1A1LMNAHPGDMAPK1
SCHEMBL6670565 0.79 SLC6A2 (0.33) ALDH1A1HPGDMAPK1SMN1; SMN2MEN1
SCHEMBL6671257 0.79 SLC6A2 (0.33) ALDH1A1HPGDMAPK1SMN1; SMN2MEN1
SCHEMBL6669412 0.77 MGLL (0.43) MGLLDPP4ALDH1A1LMNAHPGD

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 3067/4885DPP4 2209/4885ALDH1A1 456/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MGLL 3067/4885DPP4 2209/4885ALDH1A1 456/4885

“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.