SCHEMBL88934

SCHEMBL88934

COCCOc1cc(CNC2CC2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
HTT P42858 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NCF1 P14598 2/20 0.39
ADRA2A P08913 1/20 0.39
MCHR1 Q99705 1/20 0.39
TSHR P16473 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL89260 0.94 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL89562 0.89 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8230602 0.87 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL664247 0.80 REN (0.42) NCF1ADRA2AMCHR1APPBCHE
SCHEMBL88995 0.79 TSHR (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15087665 0.78 TSHR (0.44) HTTCTDSP1NCF1TSHRALDH1A1
SCHEMBL1518448 0.75 ALDH1A1 (0.38) HTTMCHR1BCHEACHEALDH1A1
SCHEMBL89578 0.74 NCF1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15012409 0.73 MEN1 (0.50) BCHEACHEALDH1A1MEN1KMT2A
SCHEMBL28416153 0.73 NCF1 (0.50) HTTCTDSP1NCF1TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 HTR3E 858/4885HTR3B 625/4885HTR3A 566/4885

“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.