SCHEMBL3149064

SCHEMBL3149064

CC(C(N)=O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.38
SSTR4 P31391 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ALOX5 P09917 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29051500 0.98 EPHX1 (0.38) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1
SCHEMBL3912790 0.84 SSTR4 (0.40) EPHX1SSTR4SMN1; SMN2KMT2ALMNA
SCHEMBL8283504 0.81 EPHX1 (0.38) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1
SCHEMBL10735811 0.79 EPHX1 (0.41) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1
SCHEMBL6188840 0.79 EPHX1 (0.41) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1
SCHEMBL29416278 0.79 EPHX1 (0.37) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1
SCHEMBL20472266 0.79 EPHX1 (0.37) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1
SCHEMBL30281321 0.78
SCHEMBL14473686 0.78 EPHX1 (0.39) EPHX1SSTR4SMN1; SMN2ALDH1A1CES2
SCHEMBL17818902 0.78 EPHX1 (0.38) EPHX1SSTR4SMN1; SMN2ALDH1A1MEN1

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-110536936-A Surface-active adjuvant RHODIA OPERATIONS 2019-12-03 CN disclosed
US-9234000-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-01-12 US disclosed
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-08-13 US disclosed
US-9051249-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-06-09 US disclosed
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-31 US disclosed
CN-102076666-A Aminopyridine derivatives VANTIA LTD 2011-05-25 CN disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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 (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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 EPHX1 1931/4885SSTR4 3203/4885SMN1; SMN2 3460/4885
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 EPHX1 570/4885SSTR4 2716/4885SMN1; SMN2 3062/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 EPHX1 570/4885SSTR4 2716/4885SMN1; SMN2 3062/4885

“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.