SCHEMBL6701347

SCHEMBL6701347

NC1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.65
HTR3E A5X5Y0 3/20 0.61
HTR3B O95264 3/20 0.61
CYP1A2 P05177 3/20 0.61
HTR3A P46098 3/20 0.61
HTR3D Q70Z44 3/20 0.61
HTR3C Q8WXA8 3/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
USP2 O75604 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP3A4 P08684 1/20 0.61
HTR1A P08908 1/20 0.61
HTR2C P28335 1/20 0.61
MAPK1 P28482 1/20 0.61
SLC6A4 P31645 1/20 0.61
HTR7 P34969 1/20 0.61
HTT P42858 1/20 0.61
HTR6 P50406 1/20 0.61

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
Hydrochloric Acid SCHEMBL5227381 0.98 HRH3 (0.63) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL2631079 0.83 HRH3 (0.65) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL15139177 0.83 PDE10A (0.59) HRH3HTR3EHTR3BCYP1A2HTR3A
Hydrochloric Acid SCHEMBL2630754 0.81 PDE10A (0.57) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL27931272 0.81 PDE10A (0.64) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL29604668 0.80 HRH3 (0.71) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL5664122 0.80 HRH3 (0.71) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL30824499 0.80 HRH3 (0.71) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL31381307 0.80 PDE10A (0.68) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL5777917 0.79 HRH3 (0.69) HRH3HTR3EHTR3BCYP1A2HTR3A

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 HRH3 3059/4885HTR3E 2152/4885HTR3B 1055/4885

“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.