SCHEMBL3217857

SCHEMBL3217857

Nc1c(Cc2ccccc2)c(N2CCOCC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
KDM4E B2RXH2 7/20 0.58
MAPT P10636 2/20 0.58
POLB P06746 2/20 0.54
PDE5A O76074 1/20 0.53
ALDH1A1 P00352 6/20 0.51
GAA P10253 3/20 0.51
GLA P06280 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NCF1 P14598 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
CASP1 P29466 1/20 0.49
MEN1 O00255 1/20 0.48
MAPK10 P53779 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PTK2 Q05397 1/20 0.47
HRH1 P35367 1/20 0.46

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
SCHEMBL13650811 0.82 HPGD (0.55) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL4701242 0.82 KDM4E (0.69) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL9770530 0.76 KDM4E (0.57) HPGDKDM4EMAPTPOLBPDE5A
SCHEMBL5026889 0.75 HTR2C (0.57) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL1123750 0.74 MAPT (0.54) HPGDKDM4EMAPTPDE5AALDH1A1
SCHEMBL1123892 0.74 MAPT (0.54) HPGDKDM4EMAPTPDE5AALDH1A1
SCHEMBL11739114 0.74 KDM4E (0.69) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL4091816 0.73 KDM4E (0.64) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL1442831 0.72 METAP1 (0.60) HPGDKDM4EMAPTALDH1A1LMNA
SCHEMBL5123188 0.71 HTR2C (0.56) HPGDKDM4EMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885KDM4E 3028/4885MAPT 73/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885KDM4E 3028/4885MAPT 73/4885

“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.