SCHEMBL414088

SCHEMBL414088

CC(C)Oc1ccccc1CN(C)C(=O)CCCCc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.47
BCHE P06276 8/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
FFAR4 Q5NUL3 1/20 0.43
ALOX5 P09917 2/20 0.43
KMT2A Q03164 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
DPP4 P27487 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL415418 0.87 ACHE (0.59) ACHEBCHECHRM2CHRM1ALOX5
SCHEMBL416337 0.83 BCHE (0.43) ACHEBCHECHRM2CHRM1FFAR4
SCHEMBL415623 0.78 ACHE (0.59) ACHEBCHECHRM2CHRM1ALOX5
SCHEMBL417530 0.77 ACHE (0.47) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL417529 0.75 ACHE (0.47) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL418468 0.74 BCHE (0.43) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL8368769 0.72 ACHE (0.54) ACHEBCHECHRM2CHRM1ALOX5
SCHEMBL412369 0.72 SMN1; SMN2 (0.43) ALOX5KMT2ASLC6A5
Hydrochloric Acid SCHEMBL9282714 0.72 ACHE (0.53) ACHEBCHECHRM2CHRM1ALOX5
SCHEMBL415638 0.71 ACHE (0.56) ACHEBCHECHRM2CHRM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ACHE 4296/4885BCHE 3039/4885CHRM2 4772/4885

“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.