SCHEMBL4560012

SCHEMBL4560012

Nc1ncc(N2CCNCC2)c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.52
LMNA P02545 1/20 0.52
NCF1 P14598 2/20 0.51
HTR6 P50406 5/20 0.50
HTR1A P08908 3/20 0.50
HTR7 P34969 3/20 0.50
HTR2B P41595 2/20 0.50
HTR2A P28223 1/20 0.49
HTR5A P47898 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HTR3A P46098 1/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
HRH4 Q9H3N8 1/20 0.45
ADRB1 P08588 2/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL30463625 0.83 DHFR (0.56) DHFRLMNANCF1HRH3HTR3A
SCHEMBL18335242 0.83 DHFR (0.56) DHFRLMNANCF1ALDH1A1HPGD
SCHEMBL31106280 0.82 HTR7 (0.57) DHFRNCF1HTR1AHTR7HTR2A
SCHEMBL4254231 0.78 DHFR (0.46) DHFRLMNAADORA2AADORA1
SCHEMBL4560009 0.77 HRH4 (0.54) DHFRHTR6HTR1AHTR7HTR2A
SCHEMBL9167447 0.77 DHFR (0.59) DHFRHRH3
SCHEMBL13117197 0.77 CYP46A1 (0.55) NCF1HTR6HTR1AHTR7HTR2B
SCHEMBL2754179 0.75 HRH4 (0.49) DHFRLMNANCF1HTR6HTR1A
SCHEMBL4254224 0.73 DHFR (0.51) DHFRLMNANCF1HTR6HTR1A
Hydrochloric Acid SCHEMBL28618176 0.73 DHFR (0.45) DHFRLMNANCF1HTR6HTR1A

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 DHFR 677/4885LMNA 4129/4885NCF1 1236/4885

“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.