SCHEMBL89562

SCHEMBL89562

CCCOc1cc(CNC2CC2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.51
HTR3B O95264 5/20 0.51
HTR3A P46098 5/20 0.51
HTR3D Q70Z44 5/20 0.51
HTR3C Q8WXA8 5/20 0.51
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8230602 0.93 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL88934 0.89 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL89260 0.88 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL89106 0.80 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10186640 0.76 MEN1 (0.44) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL4270523 0.74 NCF1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL664247 0.73 REN (0.42) ALDH1A1SMN1; SMN2ADRA2AMCHR1ALOX15
SCHEMBL13795760 0.72 MCHR1 (0.62) ADRA2AMCHR1
SCHEMBL7939470 0.69 PDE10A (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL663835 0.69 TACR1 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2

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.