SCHEMBL3544377

SCHEMBL3544377

Cc1ccc(-c2oncc2C(=O)N2CCc3ccc(C#N)cc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.51
MAPT P10636 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NAMPT P43490 5/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
KDM1A O60341 2/20 0.38
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL2 P10415 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
SCHEMBL3547235 0.84 MAPT (0.61) MAPTPLA2G1BATG4BPDE4BPDE4D
SCHEMBL3543135 0.81 ABCB1 (0.55) MAPTPDE4BKDM4EALDH1A1HPGD
SCHEMBL3552122 0.76 HCRTR1 (0.50) MAPTPLA2G1BATG4BNAMPTPDE4B
SCHEMBL3186687 0.74 ALDH1A1 (0.54) KDM4ENPSR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3549217 0.73 KMT2A (0.46) HCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL10163702 0.71 NOTUM (0.58) SPRMAPTNAMPTDRD2DRD3
SCHEMBL3549632 0.70 ALDH1A1 (0.50) HTTHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL13501704 0.70 CYP46A1 (0.51) HCRTR1HCRTR2KDM1AALDH1A1HPGD
SCHEMBL28369820 0.70 AKR1C3 (0.52) SPRMAPTNAMPTDRD2DRD3
SCHEMBL3545756 0.69 HCRTR1 (0.43) SPRHTTKDM4EHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 SPR 256/4885MAPT 3715/4885PLA2G1B 4324/4885

“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.