SCHEMBL90330

SCHEMBL90330

COC(C)(C)[C@@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1A P35348 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 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
SCHEMBL90685 1.00 SIGMAR1 (0.38) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL90051 0.81 SIGMAR1 (0.40) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL90384 0.81 SIGMAR1 (0.40) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL13995692 0.72 ADRA2B (0.50) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL13995693 0.72 ADRA2B (0.50) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL16900682 0.69 ALDH1A1 (0.34) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL9816534 0.69 TAAR1 (0.43) SIGMAR1SLC6A2SLC6A3CYP2D6SLC6A4
SCHEMBL20682942 0.69 TSHR (0.46) SIGMAR1TSHRALDH1A1SMN1; SMN2ADRA2B
SCHEMBL55668 0.68 EPOR (0.52) MEN1KMT2AMMP1MMP3L3MBTL1
SCHEMBL56847 0.68 EPOR (0.52) MEN1KMT2AMMP1MMP3L3MBTL1

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 SIGMAR1 1185/4885TSHR 1095/4885ALDH1A1 38/4885

“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.