SCHEMBL5264129

SCHEMBL5264129

O=C(NC1CCC2(CC1)OCCO2)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.60
EPHX1 P07099 1/20 0.56
KDM1A O60341 1/20 0.54
MAOB P27338 1/20 0.54
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
DPP4 P27487 4/20 0.49
DPP7 Q9UHL4 4/20 0.49
KCNH2 Q12809 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CPB1 P15086 1/20 0.48
TLR4 O00206 1/20 0.47

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
SCHEMBL16158130 0.90 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL30289381 0.89 ALDH1A1 (0.53) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL15233277 0.87 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL19898223 0.86 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL4270198 0.84 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL12096431 0.84 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL4270200 0.84 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL4083850 0.84 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL562870 0.84 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL381922 0.83 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1KDM1A

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-7541468-B2 Process of preparing N-ureidoalkyl-piperidines BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
EP-1817310-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO-ONCOGENE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
WO-2006034015-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO- ONCOGENE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 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-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 ALDH1A1 488/4885GAA 3044/4885TSHR 395/4885

“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.