SCHEMBL2584773

SCHEMBL2584773

Cc1cccc(C(=O)N2CCc3oncc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
GRM5 P41594 4/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
CYP3A4 P08684 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 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
SCHEMBL12846718 0.78 HPGD (0.71) HPGDGRM5NAMPTALDH1A1SMN1; SMN2
SCHEMBL2588858 0.77 DPP4 (0.50) HPGDNAMPTALDH1A1LMNAKDM4E
SCHEMBL2586680 0.77 HPGD (0.51) HPGDALDH1A1LMNAL3MBTL1
SCHEMBL14970401 0.75 NOTUM (0.50) NAMPTLMNAGABRA5
SCHEMBL2580863 0.74 ALDH1A1 (0.55) HPGDGRM5NAMPTALDH1A1SMN1; SMN2
SCHEMBL12569373 0.73 HPGD (0.64) HPGDNAMPTALDH1A1SMN1; SMN2LMNA
SCHEMBL20424296 0.73 MEN1 (0.35) HPGDALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL16089692 0.73 MAPK1 (0.73) ALDH1A1LMNAKDM4E
SCHEMBL7130857 0.73 HPGD (0.83) HPGDALDH1A1KDM4EHTTL3MBTL1
SCHEMBL14238822 0.73 HPGD (0.83) HPGDALDH1A1KDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 HPGD 187/4885GRM5 130/4885NAMPT 911/4885

“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.