SCHEMBL17815703

SCHEMBL17815703

Cc1cnc(OCCOC(F)(F)F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN9A Q15858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
LMNA P02545 3/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
DRD1 P21728 1/20 0.31
AAK1 Q2M2I8 2/20 0.30
MAPK1 P28482 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL22484223 0.81 HSP90AA1 (0.41) SSTR4CYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL17811783 0.81 MAPK1 (0.35) CYP1A2CYP3A4CYP2C19SCN9ASMN1; SMN2
SCHEMBL15599217 0.80 SSTR4 (0.38) SSTR4SCN9ASMN1; SMN2LMNAMAPT
SCHEMBL19823762 0.80 KCNJ5 (0.41) SSTR4CYP2C19SMN1; SMN2KMT2AHPGD
SCHEMBL17428846 0.79 SSTR4 (0.45) SSTR4CYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL12037985 0.78 SSTR4 (0.39) SSTR4SMN1; SMN2KMT2AHPGDLMNA
SCHEMBL15599218 0.78 SSTR4 (0.47) SSTR4CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL16371790 0.77 MRGPRX4 (0.46) SCN9ASMN1; SMN2MRGPRX4LMNAMAPK1
SCHEMBL16372478 0.76 ABL1 (0.39) SCN9ASMN1; SMN2KMT2AMRGPRX4LMNA
SCHEMBL24599916 0.76 SSTR4 (0.44) SSTR4CYP1A2CYP3A4CYP2C19SMN1; SMN2

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-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 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-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 SSTR4 2664/4885CYP1A2 3270/4885CYP3A4 3236/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 SSTR4 2664/4885CYP1A2 3270/4885CYP3A4 3236/4885

“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.