SCHEMBL8475763

SCHEMBL8475763

CN1CCN(c2ccnc(N(C)C)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.63
HRH3 Q9Y5N1 4/20 0.63
ALDH1A1 P00352 7/20 0.62
CYP1A2 P05177 7/20 0.62
HSD17B10 Q99714 4/20 0.62
CYP3A4 P08684 4/20 0.62
USP2 O75604 3/20 0.62
CLK4 Q9HAZ1 2/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
CYP2D6 P10635 4/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 2/20 0.51
HTR3A P46098 4/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL10970453 0.81 HRH3 (0.61) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL28024738 0.81 HSD17B10 (0.51) ALDH1A1CYP1A2HSD17B10CYP3A4USP2
SCHEMBL10968278 0.81 USP2 (0.44) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL2190955 0.81 HRH4 (0.65) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL29997962 0.81 HRH4 (0.65) HRH4HRH3ALDH1A1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL30619069 0.80 HRH3 (0.59) HRH4HRH3ALDH1A1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL26600764 0.80 HRH3 (0.59) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL14029975 0.79 HRH4 (0.67) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL2166051 0.77 HRH4 (1.00) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL785173 0.76 HRH4 (0.54) HRH4HRH3

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-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B HRH4 286/4885HRH3 1175/4885ALDH1A1 1483/4885

“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.