SCHEMBL803083

SCHEMBL803083

CC(C)(C)CC1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
ACHE P22303 7/20 0.56
BCHE P06276 3/20 0.51
ALDH1A1 P00352 2/20 0.51
BACE1 P56817 1/20 0.51
CXCR4 P61073 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL803463 0.91 CYP2D6 (0.59) ACHEBCHEALDH1A1CYP1A2CYP3A4
SCHEMBL803462 0.90 CCR3 (0.67) CCR3ACHEBCHEALDH1A1CXCR4
SCHEMBL28657725 0.86 CCR3 (0.57) CCR3ACHEBCHEALDH1A1BACE1
SCHEMBL5969123 0.85 CCR3 (0.64) CCR3ACHEBCHEALDH1A1BACE1
SCHEMBL5969122 0.85 CCR3 (0.64) CCR3ACHEBCHEALDH1A1BACE1
SCHEMBL13221838 0.84 CCR3 (0.49) CCR3ACHEBCHEALDH1A1BACE1
SCHEMBL13107603 0.84 CCR3 (0.49) CCR3ACHEBCHEALDH1A1BACE1
SCHEMBL803095 0.84 HSD11B1 (0.47) CCR3ACHE
SCHEMBL12424946 0.83 CCR3 (0.62) CCR3ACHEBCHEALDH1A1BACE1
SCHEMBL22435962 0.83 CCR3 (0.62) CCR3ACHEBCHEALDH1A1BACE1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (4 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS CCR3 1673/4885ACHE 3481/4885BCHE 2124/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD CCR3 2505/4885ACHE 3354/4885BCHE 3384/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CCR3 2505/4885ACHE 3354/4885BCHE 3384/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CCR3 517/4885ACHE 746/4885BCHE 319/4885

“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.