SCHEMBL4285774

SCHEMBL4285774

O[C@H]1C[C@H]2CC[C@@H](C1)N2c1ncc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
ROCK2 O75116 1/20 0.36
MAP3K12 Q12852 1/20 0.34
LCAT P04180 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
CYP2C9 P11712 1/20 0.33
LIPE Q05469 1/20 0.33
HSD11B1 P28845 1/20 0.33
HCRTR2 O43614 4/20 0.33
HCRTR1 O43613 3/20 0.33
GPR65 Q8IYL9 1/20 0.33
ACACB O00763 1/20 0.33
IDH2 P48735 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 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
SCHEMBL3648206 1.00 AR (0.41) ARROCK2MAP3K12LCATTRPV4
SCHEMBL13799807 0.80 KDM4E (0.48) ARLMNAKDM4EABL1CYP2C9
SCHEMBL10107100 0.80 KDM4E (0.48) ARLMNAKDM4EABL1CYP2C9
SCHEMBL385240 0.80 KDM4E (0.48) ARLMNAKDM4EABL1CYP2C9
SCHEMBL10107239 0.80 KDM4E (0.48) ARLMNAKDM4EABL1CYP2C9
SCHEMBL13813125 0.80 KDM4E (0.48) ARLMNAKDM4EABL1CYP2C9
SCHEMBL24962302 0.79 ROCK2 (0.44) ROCK2TRPV4
SCHEMBL14296692 0.78 LMNA (0.41) ARROCK2MAP3K12LMNAKDM4E
Hydrochloric Acid SCHEMBL25309061 0.77 ROCK2 (0.43) ROCK2TRPV4
SCHEMBL3649553 0.77 AR (0.41) ARLCATTRPV4LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R AR 559/4885ROCK2 3590/4885MAP3K12 2415/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R AR 559/4885ROCK2 3590/4885MAP3K12 2415/4885

“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.