SCHEMBL4282750

SCHEMBL4282750

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cccc(Cl)c2Cl)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.37
HCRTR2 O43614 8/20 0.37
HTR2C P28335 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL13705445 0.94 HCRTR2 (0.36) HCRTR1HCRTR2HTR2CALDH1A1GAA
SCHEMBL4295398 0.89 HCRTR1 (0.42) HCRTR1HCRTR2HTR2CALDH1A1KDM4E
SCHEMBL4295567 0.89 HCRTR1 (0.37) HCRTR1HCRTR2HTR2CALDH1A1GAA
SCHEMBL4288806 0.89 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL4293415 0.88 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1
SCHEMBL4284622 0.88 HCRTR1 (0.46) HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL4281285 0.88 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1KDM4ETDP1
SCHEMBL4291121 0.88 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL4283410 0.88 HCRTR1 (0.36) HCRTR1HCRTR2HTR2C
SCHEMBL4284587 0.88 HCRTR1 (0.43) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885HTR2C 3663/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885HTR2C 3663/4885

“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.