SCHEMBL6605329

SCHEMBL6605329

CCCCNc1ncccc1C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP3A4 P08684 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP2C9 P11712 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 3/20 0.49
PPIA P62937 1/20 0.47
PDE5A O76074 1/20 0.46
PDE4B Q07343 1/20 0.46
CYP2D6 P10635 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 2/20 0.45

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
SCHEMBL6612663 0.92 ALDH1A1 (0.68) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7437816 0.89 ALDH1A1 (0.59) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL15635520 0.86 HTT (0.60) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28137220 0.86 HTT (0.65) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8567716 0.85 HTT (0.62) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4611494 0.85 HTT (0.64) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2087007 0.84 HTT (0.57) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2087895 0.84 HTT (0.57) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1523101 0.84 HTT (0.57) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1522683 0.83 MAPT (0.62) HTTALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104822653-B N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists 奥赖恩公司 2017-03-08 CN disclosed
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 WO disclosed
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 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 (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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 HTT 987/4885ALDH1A1 1295/4885KDM4E 3536/4885

“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.