SCHEMBL5879111

SCHEMBL5879111

C=CCN(C(=O)OC(C)(C)C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
APP P05067 1/20 0.34
MT-CO2 P00403 1/20 0.34
BCL2A1 Q16548 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
STS P08842 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
GSTO1 P78417 1/20 0.30

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
SCHEMBL5879096 0.87 MT-CO2 (0.40) APPMT-CO2HDAC6GRNSORT1
SCHEMBL3160825 0.80 TSHR (0.37) RAB9AALDH1A1TSHRAPPMT-CO2
SCHEMBL5788150 0.79 MTNR1A (0.39) ALDH1A1TSHR
SCHEMBL3395276 0.78 TSHR (0.43) RAB9ATSHRMT-CO2L3MBTL1HDAC6
SCHEMBL14830797 0.77 ALDH1A1 (0.38) ALDH1A1TSHRMT-CO2L3MBTL1
SCHEMBL5787463 0.77 TSHR (0.38) ALDH1A1TSHR
SCHEMBL31679552 0.76 HDAC1 (0.37) ALDH1A1TSHRBCL2A1L3MBTL1HDAC6
SCHEMBL30877124 0.76 MTNR1A (0.39) TSHRL3MBTL1HDAC6HDAC1
SCHEMBL7643212 0.76 EGFR (0.40) RAB9AALDH1A1TSHRMT-CO2L3MBTL1
SCHEMBL4873953 0.76 TSHR (0.44) ALDH1A1TSHRL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034056-B2 Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-25 US disclosed
EP-1370520-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-12-17 EP disclosed
US-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity SCHERING CORPORATION 2003-05-15 US disclosed
WO-2002076929-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-10-03 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 (1 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-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity MCHR1, MCHR2, MC3R S1PR1 289/4885RAB9A 2455/4885ALDH1A1 1069/4885

“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.