SCHEMBL3979914

SCHEMBL3979914

[CH2]CC(=O)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.52
TSHR P16473 3/20 0.52
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRE P78334 1/20 0.52
PMP22 Q01453 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
NOS2 P35228 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1375511 0.82
SCHEMBL2718937 0.82 KMT2A (0.41) KMT2ALMNA
SCHEMBL4630580 0.78 GABRA5 (0.54) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL8923431 0.77 GABRA5 (0.48) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL27921007 0.77 TSHR (0.43) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL3768027 0.76 GABRA5 (0.52) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL3434685 0.76 GABRA5 (0.52) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL2409709 0.76 GABRA1 (0.52) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL3947564 0.76 GABRA5 (0.52) GABRA5TSHRGABRA1GABRB2GABRG2
SCHEMBL4453508 0.75 CES2 (0.50) TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
EP-2059516-A1 PYRIDINE 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
US-20080103123-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
WO-2008025799-A1 PYRIDAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
US-20080058339-A1 New compounds BIOVITRUM (SE) 2008-03-06 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 (3 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-20080058339-A1 New compounds GPR119, GPR180, GPR139 GABRA5 233/4885TSHR 720/4885GABRA1 276/4885
US-20080103141-A1 New compounds GPR119, GPR3, GPR4 GABRA5 571/4885TSHR 528/4885GABRA1 664/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 GABRA5 442/4885TSHR 488/4885GABRA1 493/4885

“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.