SCHEMBL12367012

SCHEMBL12367012

OCCCC1CCN(Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 2/20 0.36
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM5 P08912 6/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
AKR1C3 P42330 1/20 0.34
CYP11B2 P19099 1/20 0.33
TYMP P19971 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL14941327 0.81 CHRM2 (0.35) SLC18A3ALDH1A1LTA4HCHRM2CHRM4
SCHEMBL1098014 0.77 NCF1 (0.48) SLC18A3ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL20851287 0.77 SLC18A3 (0.37) SLC18A3ALDH1A1LTA4HCHRM2CHRM4
SCHEMBL12284377 0.77 SLC18A3 (0.37) SLC18A3ALDH1A1LTA4HCHRM2CHRM4
SCHEMBL1543625 0.77 CYP1A2 (0.38) SLC18A3ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL79852 0.77
SCHEMBL1103885 0.77 GPR119 (0.48) SLC18A3LTA4HCHRM2CHRM4CHRM5
SCHEMBL8054785 0.76 CHRM2 (0.46) SLC18A3ALDH1A1LTA4HCHRM2CHRM4
SCHEMBL15047082 0.75
SCHEMBL863016 0.75 ITGB3 (0.50) ALDH1A1LTA4HHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 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 (2 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 SLC18A3 526/4885ALDH1A1 1462/4885LTA4H 599/4885
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 SLC18A3 1700/4885ALDH1A1 2253/4885LTA4H 671/4885

“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.