SCHEMBL4285611

SCHEMBL4285611

CCOC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2nnc(-c3ccccc3)o2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.40
HCRTR1 O43613 2/20 0.40
TSPO P30536 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
USP19 O94966 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL4291233 0.93 HCRTR2 (0.41) HCRTR2HCRTR1TSPOOPRK1HTR2B
Hydrochloric Acid SCHEMBL4282118 0.93 HCRTR2 (0.41) HCRTR2HCRTR1TSPOOPRK1HTR2B
Hydrochloric Acid SCHEMBL4292771 0.92 HCRTR2 (0.42) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL4290296 0.89 HCRTR2 (0.41) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL4295868 0.89 CA1 (0.39) HCRTR2HCRTR1USP19
Hydrochloric Acid SCHEMBL4291157 0.89 CA1 (0.39) HCRTR2HCRTR1USP19
SCHEMBL13705393 0.85 HCRTR1 (0.38) HCRTR2HCRTR1USP19SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4288954 0.84 HCRTR1 (0.38) HCRTR2HCRTR1USP19SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4290312 0.83 CA1 (0.38) HCRTR2HCRTR1USP19
SCHEMBL13341800 0.82 CA1 (0.40) HCRTR2HCRTR1USP19

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 HCRTR2 3136/4885HCRTR1 3147/4885TSPO 2092/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR2 3136/4885HCRTR1 3147/4885TSPO 2092/4885

“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.