SCHEMBL4452023

SCHEMBL4452023

O=C(c1cc[c]cc1)N1CCCC1CO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SPHK2 Q9NRA0 2/20 0.52
PDK2 Q15119 1/20 0.47
ROCK2 O75116 1/20 0.46
VNN1 O95497 3/20 0.46
RAB9A P51151 1/20 0.44
SPHK1 Q9NYA1 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4931440 0.84 SPHK2 (0.64) POLBL3MBTL1SPHK2PDK2ROCK2
SCHEMBL11447207 0.84 SPHK2 (0.64) POLBL3MBTL1SPHK2PDK2ROCK2
SCHEMBL591348 0.84 HRH3 (0.57)
SCHEMBL28044444 0.84 HRH3 (0.57)
SCHEMBL591304 0.84 HRH3 (0.57)
SCHEMBL17584872 0.82 SPHK2 (0.55) POLBL3MBTL1SPHK2PDK2ROCK2
SCHEMBL10194843 0.82 SPHK2 (0.55) POLBL3MBTL1SPHK2PDK2ROCK2
SCHEMBL966970 0.82 SPHK2 (0.55) POLBL3MBTL1SPHK2PDK2ROCK2
SCHEMBL17600731 0.82 POLB (0.53) POLBL3MBTL1SPHK2PDK2ROCK2
SCHEMBL17600735 0.82 POLB (0.53) POLBL3MBTL1SPHK2PDK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 POLB 4644/4885L3MBTL1 4778/4885SPHK2 3643/4885

“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.