SCHEMBL4293624

SCHEMBL4293624

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccc(N3CCN(C(C)=O)CC3)cc2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
USP2 O75604 3/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 4/20 0.32
CTSK P43235 3/20 0.32
CTSL P07711 2/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 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
SCHEMBL13705148 0.93 MAPT (0.35) HCRTR1HCRTR2USP2TSHRKDM1A
SCHEMBL4285677 0.92 HCRTR1 (0.39) HCRTR1HCRTR2LMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL4292787 0.90 HCRTR1 (0.37) HCRTR1HCRTR2USP2TSHRKDM1A
SCHEMBL4281981 0.89 HCRTR1 (0.38) HCRTR1HCRTR2SMN1; SMN2LMNAALDH1A1
SCHEMBL4282753 0.89 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1MAPK1MAPT
SCHEMBL4289721 0.88 HCRTR1 (0.37) HCRTR1HCRTR2MAPT
SCHEMBL4296767 0.87 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4289023 0.87 HCRTR1 (0.36) HCRTR1HCRTR2USP2ALDH1A1MAPT
SCHEMBL4282962 0.86 HCRTR1 (0.34) HCRTR1HCRTR2ALDH1A1HPGDGAA
SCHEMBL4284990 0.86 HCRTR1 (0.32) 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 3136/4885USP2 3845/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885USP2 3845/4885

“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.