SCHEMBL16769730

SCHEMBL16769730

COc1cccc(N2CCC(C(C)=O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
ACACB O00763 3/20 0.51
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
LCAT P04180 1/20 0.45
ALOX5 P09917 2/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HTR2C P28335 1/20 0.43
C5AR1 P21730 1/20 0.43
OGA O60502 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM4 P08173 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
PHGDH O43175 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL16648472 0.83 MAPT (0.54) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11144665 0.83 HRH3 (0.54) HRH3ACACBHTR1AHTR2ADRD3
SCHEMBL16769737 0.80 MEN1 (0.56) HRH3LCATMEN1KMT2ASMN1; SMN2
SCHEMBL3826847 0.80 HTR3E (0.60) HRH3ACACBHTR1AHTR2ADRD3
Hydrochloric Acid SCHEMBL11292628 0.78 HTR3E (0.59) HRH3ACACBHTR1AHTR2ADRD3
SCHEMBL15300934 0.77 HRH3 (0.50) HRH3ACACBHTR1AHTR2ADRD3
SCHEMBL22547430 0.77 ALOX5 (0.51) HRH3ACACBHTR1AHTR2ADRD3
SCHEMBL6529664 0.77 ALOX5 (0.51) HRH3HTR1AHTR2ADRD3ALOX5
SCHEMBL3934891 0.76 HRH3 (0.55) HRH3ACACBHTR1AHTR2ADRD3
SCHEMBL30770805 0.76 ALOX5 (0.50) HRH3HTR1AHTR2ADRD3ALOX5

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-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 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-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE LCAT, LPL, LCLAT1 HRH3 3681/4885ACACB 209/4885HTR1A 4430/4885

“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.