SCHEMBL3984556

SCHEMBL3984556

NC(=O)c1cccc(-c2ccc(CNC3CCN(C(=O)O)CC3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
DRD4 P21917 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HPGDS O60760 3/20 0.41
CXCR4 P61073 1/20 0.40
PRKD1 Q15139 2/20 0.40
MAP4K4 O95819 2/20 0.40
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CD274 Q9NZQ7 2/20 0.39
PDCD1 Q15116 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ADAM17 P78536 1/20 0.38
ATR Q13535 1/20 0.38
SMO Q99835 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
SCHEMBL3984090 0.89 CXCR4 (0.42) KDM1ACYP11B1CYP11B2DRD4HPGDS
SCHEMBL5083436 0.86 USP30 (0.45) KDM1AHPGDS
SCHEMBL3982357 0.86 FYN (0.48) HPGDSPRKD1MAP4K4FYN
SCHEMBL1348274 0.85 KDM1A (0.49) KDM1ACYP11B1CYP11B2HPGDSPRKD1
SCHEMBL1347647 0.83 KDM1A (0.47) KDM1ACYP11B1CYP11B2HPGDSPRKD1
SCHEMBL1345620 0.83 OPRM1 (0.49) KDM1ACYP11B1CYP11B2HPGDSPRKD1
SCHEMBL1347367 0.83 KDM1A (0.47) KDM1ACYP11B1CYP11B2HPGDSPRKD1
SCHEMBL1346050 0.83 KDM1A (0.47) KDM1ACYP11B1CYP11B2HPGDSPRKD1
SCHEMBL1346051 0.83 KDM1A (0.47) KDM1ACYP11B1CYP11B2HPGDSPRKD1
SCHEMBL1347565 0.82 PRKD1 (0.48) KDM1ACYP11B1CYP11B2HPGDSPRKD1

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-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 KDM1A 4789/4885CYP11B1 131/4885CYP11B2 179/4885

“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.