SCHEMBL4295937

SCHEMBL4295937

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCn2cnc3ccccc32)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
USP19 O94966 9/20 0.39
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 2/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 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
SCHEMBL4286413 0.93 USP19 (0.39) ADRA2AUSP19CCR5OPRM1OPRL1
SCHEMBL4291374 0.91 USP19 (0.36) USP19LMNATSHRSMN1; SMN2HCRTR1
SCHEMBL4287236 0.91 ADRA2A (0.39) ADRA2AUSP19LMNANPSR1TSHR
SCHEMBL4284651 0.90 USP19 (0.35) USP19NPSR1EGLN3KDM4EALDH1A1
SCHEMBL4293642 0.89 USP19 (0.37) USP19HCRTR1HCRTR2
SCHEMBL4291024 0.89 USP19 (0.39) USP19HCRTR1HCRTR2
SCHEMBL4286715 0.88 USP19 (0.36) USP19
SCHEMBL13705363 0.88 USP19 (0.36) USP19
SCHEMBL4287445 0.88 USP19 (0.35) USP19TSHRHCRTR1HCRTR2
SCHEMBL13705362 0.88 USP19 (0.36) USP19HPGD

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 ADRA2A 1573/4885USP19 1993/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ADRA2A 1573/4885USP19 1993/4885LMNA 1785/4885

“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.