SCHEMBL3767897

SCHEMBL3767897

OC1CCN(c2nsc(Cl)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
IDH2 P48735 1/20 0.32
PIK3CA P42336 1/20 0.32
PTPN11 Q06124 1/20 0.32
GAK O14976 1/20 0.31
EGFR P00533 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SCN9A Q15858 1/20 0.30
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30
LRRK2 Q5S007 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 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
SCHEMBL27711577 0.80 KDM4E (0.51) LMNAHTTKMT2A
SCHEMBL3770598 0.79 HRH1 (0.39) LMNAHTTMEN1KMT2A
SCHEMBL3759762 0.76 KMT2A (0.42) PIK3CALMNAHTTMEN1KMT2A
SCHEMBL27711566 0.70 CKS1B (0.47)
SCHEMBL2520522 0.67 SMO (0.48) SMOGPR119PTPN11LMNAHTT
SCHEMBL10028674 0.66 HRH4 (0.43) SMOGPR119IDH2SCN9ACHRM3
SCHEMBL31402773 0.66 SMO (0.50) SMOPTPN11EGFRLMNAHTT
SCHEMBL31402771 0.66 SMO (0.50) SMOPTPN11EGFRLMNAHTT
SCHEMBL11751363 0.66 LMNA (0.37) GPR119PIK3CAEGFRSMPD3LMNA
SCHEMBL10028675 0.64 HRH4 (0.46) SMOGPR119IDH2SCN9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 SMO 1658/4885GPR119 493/4885IDH2 700/4885

“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.