SCHEMBL17110623

SCHEMBL17110623

O=C(CN(Cc1ccc(F)cc1)C(=O)c1cnn([C@H]2CC[C@H](C(=O)O)CC2)c1C(F)(F)F)c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.35
NR3C1 P04150 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
RORC P51449 3/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL17098647 0.94 TAS2R14 (0.34) TAS2R14GAAKDM4ELMNAALDH1A1
SCHEMBL17048997 0.94 TAS2R14 (0.34) TAS2R14GAAKDM4ELMNAALDH1A1
SCHEMBL17097855 0.94 TAS2R14 (0.34) TAS2R14GAAKDM4ELMNAALDH1A1
SCHEMBL17098718 0.94 NR3C1 (0.36) NR3C1RORCMAPTUBE2MDCUN1D1
SCHEMBL17098716 0.94 NR3C1 (0.36) NR3C1RORCMAPTUBE2MDCUN1D1
SCHEMBL17098772 0.93 RORC (0.34) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17098774 0.93 RORC (0.34) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17097883 0.90 RORC (0.33) NR3C1RORCKDM4EALDH1A1MAPT
SCHEMBL17097881 0.90 RORC (0.33) NR3C1RORCKDM4EALDH1A1MAPT
SCHEMBL17097603 0.90 MALT1 (0.32) TAS2R14

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-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 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 (1 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA TAS2R14 2628/4885NR3C1 66/4885CYP1A2 388/4885

“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.