SCHEMBL89352

SCHEMBL89352

COCCCN1C(=O)CCc2ccc(NC3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
REN P00797 2/20 0.41
CYP3A4 P08684 1/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL89378 0.81 ALDH1A1 (0.35) HPGDHTTSMN1; SMN2RENTSHR
SCHEMBL8252359 0.80 MAPT (0.53) TSHR
SCHEMBL89564 0.80 TSHR (0.57) CHRM1RENCYP3A4TSHR
SCHEMBL89081 0.79 TSHR (0.47) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL3081117 0.79 SLC6A4 (0.42) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL6721467 0.78 GRIN1 (0.42) CHRM1HPGDHTTSMN1; SMN2CHRM4
SCHEMBL8265234 0.78 ATAD2 (0.50) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL89019 0.77 TSHR (0.56) CHRM1RENCYP3A4TSHR
SCHEMBL3071775 0.76 CHRM1 (0.42) CHRM1HPGDHTTSMN1; SMN2GRIN1
SCHEMBL90462 0.74 REN (0.51) HPGDHTTSMN1; SMN2RENCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
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-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US 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
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (3 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 CHRM1 431/4885HPGD 723/4885HTT 943/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC CHRM1 1634/4885HPGD 343/4885HTT 1273/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO CHRM1 1948/4885HPGD 225/4885HTT 1746/4885

“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.