SCHEMBL90384

SCHEMBL90384

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A4 P31645 1/20 0.39
OPRK1 P41145 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
MMP2 P08253 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
SCHEMBL90051 1.00 SIGMAR1 (0.40) SIGMAR1KMT2AMEN1MMP1MMP3
SCHEMBL13601327 0.83 RIPK1 (0.42) SIGMAR1KMT2AMEN1ADRA2BADRA2C
SCHEMBL3860330 0.83 RIPK1 (0.42) SIGMAR1KMT2AMEN1ADRA2BADRA2C
SCHEMBL3860326 0.83 RIPK1 (0.42) SIGMAR1KMT2AMEN1ADRA2BADRA2C
SCHEMBL90685 0.81 SIGMAR1 (0.38) SIGMAR1KMT2AMEN1MMP1MMP3
SCHEMBL90330 0.81 SIGMAR1 (0.38) SIGMAR1KMT2AMEN1MMP1MMP3
SCHEMBL15421788 0.79 SIGMAR1 (0.44) SIGMAR1KMT2AMEN1ADRA2BADRA2C
SCHEMBL15421785 0.79 SIGMAR1 (0.44) SIGMAR1KMT2AMEN1ADRA2BADRA2C
SCHEMBL6295805 0.78 TSHR (0.38) SIGMAR1KMT2AMEN1ADRA2BADRA2C
SCHEMBL13995692 0.74 ADRA2B (0.50) SIGMAR1KMT2AMEN1MMP1MMP3

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 1185/4885KMT2A 3129/4885MEN1 2336/4885

“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.