SCHEMBL4284813

SCHEMBL4284813

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(-c3nnc(C)o3)cc2OC)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 3/20 0.33
HCRTR1 O43613 10/20 0.32
HCRTR2 O43614 10/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
NTRK2 Q16620 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MCHR1 Q99705 1/20 0.30
TSPO P30536 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
MAPT P10636 1/20 0.30
GLA P06280 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
SCHEMBL4285892 0.98 USP19 (0.33) USP19HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL4287059 0.94 HCRTR1 (0.36) USP19HCRTR1HCRTR2TSPOOPRK1
Hydrochloric Acid SCHEMBL4281877 0.91 HCRTR1 (0.35) USP19HCRTR1HCRTR2TSPOOPRK1
Hydrochloric Acid SCHEMBL4286510 0.91 HCRTR1 (0.38) USP19HCRTR1HCRTR2MCHR1TSPO
SCHEMBL4287688 0.90 HCRTR1 (0.37) USP19HCRTR1HCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL4294065 0.89 HCRTR1 (0.37) USP19HCRTR1HCRTR2ALDH1A1
SCHEMBL4290797 0.89 HCRTR1 (0.36) USP19HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL4284435 0.88 HCRTR1 (0.40) USP19HCRTR1HCRTR2MCHR1
Hydrochloric Acid SCHEMBL4292754 0.88 HCRTR1 (0.36) USP19HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4294268 0.88 USP19 (0.36) USP19HCRTR1HCRTR2MCHR1

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 USP19 1993/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.