SCHEMBL471665

SCHEMBL471665

CCN(CC)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.72
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HSP90AA1 P07900 5/20 0.59
HSP90AB1 P08238 5/20 0.59
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.54
BLM P54132 1/20 0.54
MAPT P10636 1/20 0.53
MLYCD O95822 1/20 0.51
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL22351334 0.90 HPGD (0.59) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL18661938 0.85 HPGD (0.68) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL4545228 0.85 HSP90AA1 (0.70) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL10156527 0.84 HPGD (0.66) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL471664 0.84 HPGD (0.66) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL14426602 0.84 HSP90AA1 (0.66) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL17877005 0.84 HPGD (0.61) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL11699200 0.84 HPGD (0.66) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL30786345 0.84 HPGD (0.66) HPGDTDP1LMNASMN1; SMN2MEN1
SCHEMBL9299563 0.84 HPGD (0.76) HPGDTDP1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219878-A1 Repellent Compositions for Insects and Other Arthropods INTERNATIONAL CENTRE OF INSECT PHYSIOLOGY AND ECOLOGY (KE) 2016-08-04 US disclosed
EP-3030076-A2 REPELLENT COMPOSITIONS FOR INSECTS AND OTHER ARTHROPODS International Centre of Insect and Physiology and Ecology (KE) 2016-06-15 EP disclosed
WO-2015020239-A2 REPELLENT COMPOSITIONS FOR INSECTS AND OTHER ARTHROPODS INTERNATIONAL CENTRE OF INSECT AND PHYSIOLOGY AND ECOLOGY (KE) 2015-02-12 WO disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US disclosed
US-7829741-B2 Process for producing α, α-difluoroamine NATIONAL UNIVERSITY CORPORATION (JP) 2010-11-09 US disclosed
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2009-07-09 US disclosed
EP-1813596-A1 PROCESS FOR PRODUCING ALPHA, ALPHA- DIFLUOROAMINE National University Corporation Hokkaido University (JP) 2007-08-01 EP disclosed
US-6562841-B1 Testing each stereoisomer of a piperidine analog for its effectiveness as an arthropod repellent against an arthropod, comparing the test results and selecting the most effective arthropod repellent stereoisomer THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-05-13 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-20160219878-A1 Repellent Compositions for Insects and Other Arthropods C5, C3AR1, C5AR1 HPGD 4553/4885TDP1 4529/4885LMNA 4743/4885
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A HPGD 603/4885TDP1 285/4885LMNA 2125/4885
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE FUCA1, FUCA2, DBH HPGD 1246/4885TDP1 1729/4885LMNA 4155/4885

“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.