SCHEMBL3495370

SCHEMBL3495370

O=C(O)c1cc(Cl)nc(N2CCC(O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.48
FGFR1 P11362 1/20 0.48
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
IKBKB O14920 2/20 0.39
PIK3CA P42336 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SMO Q99835 1/20 0.36

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
SCHEMBL3281091 0.87 IKBKB (0.46) LMNAHTTIKBKBMEN1KMT2A
SCHEMBL3716030 0.82 HRH4 (0.48) LMNAIKBKBMEN1KMT2AHTR3E
SCHEMBL2397793 0.81 PIK3CA (0.58) LMNAHTTPIK3CAMEN1KMT2A
SCHEMBL1579732 0.81 GAA (0.40) LMNAHTTPIK3CACYP1A2CYP2D6
SCHEMBL5745920 0.77 CKS1B (0.55) LMNA
SCHEMBL26604120 0.76 LMNA (0.45) LMNAHTTIKBKBMEN1KMT2A
SCHEMBL3709425 0.76 LMNA (0.46) LMNAIKBKBPIK3CAMEN1KMT2A
SCHEMBL4542767 0.75 ESR1 (0.45) FGFR1LMNAHTTPIK3CAMEN1
SCHEMBL3743262 0.75 PIK3CA (0.67) PTGER4FGFR1PIK3CA
SCHEMBL3281393 0.74

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
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC PTGER4 3892/4885FGFR1 610/4885LMNA 1022/4885

“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.