SCHEMBL5158056

SCHEMBL5158056

COc1cccc(CC2=C(C(c3ccccc3)N(C)C)CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
HTR1B P28222 1/20 0.40
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EED O75530 1/20 0.39
AOC3 Q16853 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL5158346 0.85 TSHR (0.34) SLC6A2SLC6A4SIGMAR1CALM1LTA4H
SCHEMBL5160234 0.83 MEN1 (0.43) SLC6A2SLC6A4SIGMAR1MEN1KMT2A
SCHEMBL5160197 0.81 OPRK1 (0.45) SLC6A2SLC6A4SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5160468 0.80 OPRK1 (0.45) SLC6A2SLC6A4SIGMAR1MEN1KMT2A
SCHEMBL5160356 0.78 MEN1 (0.34) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5158462 0.78 ATM (0.45) SLC6A2SLC6A4SIGMAR1MEN1KMT2A
SCHEMBL5158176 0.77 NAAA (0.39) SLC6A2SLC6A4SIGMAR1AOC3KDM4E
SCHEMBL5158247 0.76 SIGMAR1 (0.36) SLC6A2SLC6A4SIGMAR1AOC3TAAR1
SCHEMBL5160256 0.74 SIGMAR1 (0.38) SLC6A2SLC6A4SIGMAR1AOC3
SCHEMBL5159838 0.72 TAAR1 (0.36) CASRSLC6A2SLC6A4MEN1KMT2A

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
EP-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP claimed
US-7064236-B2 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2006-06-20 US claimed
US-20040171615-A1 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2004-09-02 US claimed
EP-1406857-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004452-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2003-01-16 WO claimed
EP-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP disclosed
US-7064236-B2 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2006-06-20 US disclosed
US-20040171615-A1 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2004-09-02 US disclosed
EP-1406857-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004452-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2003-01-16 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-20040171615-A1 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds ADRB3, BRD4, NAT1 CASR 3963/4885SLC6A2 268/4885SLC6A4 380/4885

“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.