SCHEMBL4560014

SCHEMBL4560014

c1ccc(N(c2ncccn2)N2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2C P28335 2/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HTR7 P34969 2/20 0.40
SLC6A4 P31645 2/20 0.39
HTR2A P28223 1/20 0.37
HTR1A P08908 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL5553426 0.81 HRH4 (0.44) NCF1SIGMAR1HTR3EHTR3BADRB1
SCHEMBL18335244 0.79 METAP1 (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3130113 0.75 HTR6 (0.34) KDM4EALDH1A1HTR2CADRB2NCF1
SCHEMBL27433115 0.74 HIF1A (0.40) PLD1ALDH1A1SLC6A4KMT2A
SCHEMBL4976430 0.74 ADRB2 (0.46) KDM4EALDH1A1HTR2CADRB2NCF1
SCHEMBL2044428 0.73 HRH4 (0.40) KDM4EHTR2CADRB2NCF1ADRB1
SCHEMBL21906494 0.71 SIGMAR1 (0.45) KDM4EHTR2CSIGMAR1HTR3EHTR3B
SCHEMBL27620685 0.71 SIGMAR1 (0.45) HTR2CSIGMAR1HTR3EHTR3BADRB1
SCHEMBL736136 0.71 SIGMAR1 (0.46) HTR2CSIGMAR1HTR3EHTR3BADRB1
SCHEMBL28228488 0.71 SIGMAR1 (0.45) HTR2CSIGMAR1HTR3EHTR3BADRB1

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 PLD1 4727/4885KDM4E 3016/4885ALDH1A1 1306/4885

“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.