SCHEMBL16648907

SCHEMBL16648907

Nc1cc(C2CCN(c3ccc4ccccc4n3)CC2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
CYP1A2 P05177 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2C P28335 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTT P42858 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
SCHEMBL16648672 0.79 MAP4K4 (0.49) HTR3EHTR3BCYP1A2HTR3AHTR3D
SCHEMBL16648541 0.79 AVPR1A (0.47) NPC1RAB9ALCAT
SCHEMBL16648641 0.78 MAPT (0.46) HRH3ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL16648477 0.77 RAB9A (0.50) ALDH1A1CYP1A2TDP1NPC1RAB9A
SCHEMBL16664265 0.77 LCAT (0.48) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL16648775 0.76 LCAT (0.49) HRH3HTR1AHTR2CLCAT
SCHEMBL16648688 0.76 LCAT (0.47) HRH3HTR3EHTR3BCYP1A2HTR3A
SCHEMBL16648582 0.76 LCAT (0.46) ALDH1A1HTR3AHTTPDE10ALCAT
SCHEMBL16648829 0.75 GPR119 (0.44) HRH3HTR1AHTR2CSLC6A4HTR7
SCHEMBL16648716 0.75 LMNA (0.48) CYP1A2CYP3A4HTTLCATLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862861-B1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-01-06 EP disclosed
EP-2862861-B1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-01-06 EP disclosed
US-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
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
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862861-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 EP disclosed
EP-2862861-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 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-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE LCAT, LPL, LCLAT1 HRH3 3681/4885KDM4E 3879/4885ALDH1A1 907/4885

“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.