SCHEMBL9186752

SCHEMBL9186752

CNC(C(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 4/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.44
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL14063482 1.00 CYP2D6 (0.46) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL9186761 1.00 CYP2D6 (0.46) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL15075355 0.86 KMT2A (0.42) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL14898384 0.86 KMT2A (0.42) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL16453346 0.84 HSD17B10 (0.46) CYP2D6SRCLMNAKMT2ACHRM2
SCHEMBL22511875 0.82 KMT2A (0.58) CYP2D6LMNAMAPK1KMT2ACHRM2
SCHEMBL7431162 0.82 ADRA2C (0.57) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL31369902 0.82 MME (0.50) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL31370476 0.82 MME (0.50) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL31688764 0.82 MME (0.50) CYP2D6SRCLMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103360263-B Synthesis method of lercanidipine intermediates CHONGQING SHENGHUAXI PHARMA CO 2015-05-13 CN disclosed
CN-103360263-A Synthesis method of lercanidipine intermediates CHONGQING SHENGHUAXI PHARMA CO 2013-10-23 CN disclosed
US-7427688-B2 Production method of optically active diphenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-09-23 US disclosed
US-7321055-B2 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20070032658-A1 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2007-02-08 US disclosed
EP-0675902-A1 ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-10-11 EP disclosed
WO-1994014843-A1 ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-07-07 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-20070032658-A1 Production method of optically active dephenylalanine compounds TYR, PAH, DDC CYP2D6 518/4885SRC 3616/4885LMNA 4130/4885

“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.