SCHEMBL3980307

SCHEMBL3980307

O=C(Cc1cc[c]cc1)N1CC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 1/20 0.42
TACR3 P29371 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR5 P51681 1/20 0.39
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3979219 0.83 L3MBTL1 (0.53) ALDH1A1HPGDSMN1; SMN2TACR3POLB
SCHEMBL31237046 0.79 HPGD (0.63) ALDH1A1HPGDCYP2C19SMN1; SMN2TSHR
SCHEMBL3771070 0.79 SMN1; SMN2 (0.62) ALDH1A1HPGDSMN1; SMN2TSHRPOLB
SCHEMBL3760001 0.77 SMN1; SMN2 (0.65) ALDH1A1HPGDSMN1; SMN2POLBL3MBTL1
SCHEMBL16345665 0.75 MAPT (0.63) HPGDSMN1; SMN2POLBL3MBTL1NPC1
SCHEMBL4050629 0.73 CHRNB2 (0.42) ALDH1A1HPGDL3MBTL1NPC1
SCHEMBL3983890 0.72 CYP19A1 (0.48) ALDH1A1HPGDCYP2C19SMN1; SMN2TACR3
SCHEMBL3980303 0.72 HSD11B1 (0.40) ALDH1A1HPGDCYP2C19SMN1; SMN2TSHR
SCHEMBL8060133 0.71 L3MBTL1 (0.58) ALDH1A1HPGDSMN1; SMN2TSHRTACR3
SCHEMBL15290053 0.71 POLB (0.46) ALDH1A1HPGDCYP2C19SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 ALDH1A1 1431/4885HPGD 1612/4885CYP2C19 376/4885

“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.