SCHEMBL1908576

SCHEMBL1908576

CN1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
CYP26A1 O43174 1/20 0.41
BRD4 O60885 1/20 0.40
GRM2 Q14416 1/20 0.40
SRD5A1 P18405 3/20 0.39
CES2 O00748 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL6879875 0.91 SRD5A1 (0.42) SRD5A1
SCHEMBL17993583 0.82 HCRTR1 (0.41) HCRTR1HCRTR2CYP26A1GRM2CES2
SCHEMBL17993592 0.82 HCRTR1 (0.41) HCRTR1HCRTR2CYP26A1GRM2CES2
SCHEMBL11379782 0.81 HTR6 (0.39) CYP26A1
SCHEMBL598931 0.80 BRD4 (0.42) HCRTR1HCRTR2CYP26A1BRD4
SCHEMBL598932 0.80 BRD4 (0.42) HCRTR1HCRTR2CYP26A1BRD4
SCHEMBL14900495 0.80 HCRTR1 (0.41) HCRTR1HCRTR2CYP26A1GRM2MMP2
SCHEMBL598567 0.79 HCRTR1 (0.54) HCRTR1HCRTR2FAAHMGLLMMP2
SCHEMBL3395452 0.79 CYP26A1 (0.42) HCRTR1HCRTR2CYP26A1FAAHMMP2
SCHEMBL3395450 0.79 CYP26A1 (0.42) HCRTR1HCRTR2CYP26A1FAAHMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206116-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2015-12-08 US disclosed
US-20150166468-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2015-06-18 US disclosed
US-8993785-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8716495-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2014-05-06 US disclosed
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2012-06-07 US disclosed
US-8115016-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS PHARMACEUTICALS CORPORATION 2010-05-06 US 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 (4 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-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid MME, REN, PAH HCRTR1 2568/4885HCRTR2 2878/4885CYP26A1 76/4885
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID MME, REN, PAH HCRTR1 2568/4885HCRTR2 2878/4885CYP26A1 76/4885
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH HCRTR1 2568/4885HCRTR2 2878/4885CYP26A1 76/4885
US-20150166468-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH HCRTR1 2568/4885HCRTR2 2878/4885CYP26A1 76/4885

“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.