SCHEMBL4140738

SCHEMBL4140738

O=C(O)N1CCCC1COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.54
DAGLA Q9Y4D2 2/20 0.54
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
LTA4H P09960 1/20 0.49
FFAR1 O14842 1/20 0.49
DPP4 P27487 1/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNA5 P30532 2/20 0.48
CHRNA7 P36544 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL15811746 1.00 ABHD6 (0.54) ABHD6DAGLANPC1HPGDRAB9A
SCHEMBL5413716 0.96 FFAR1 (0.55) ABHD6DAGLANPC1HPGDRAB9A
SCHEMBL17008464 0.95 ABHD6 (0.58) ABHD6DAGLANPC1HPGDRAB9A
SCHEMBL4158989 0.91 ABHD6 (0.47) ABHD6DAGLANPC1HPGDRAB9A
SCHEMBL5132712 0.89 CHRNB2 (0.58) NPC1RAB9ACHRNB2CHRNA4CHRNA5
SCHEMBL5315779 0.89 CHRNB2 (0.58) NPC1RAB9ACHRNB2CHRNA4CHRNA5
SCHEMBL3828498 0.87 LTA4H (0.46) ABHD6DAGLALTA4HCHRNB4CHRNA3
SCHEMBL28159876 0.87 FFAR1 (0.53) LTA4HFFAR1DPP4CHRNB4CHRNA3
SCHEMBL16468435 0.87 LTA4H (0.49) LTA4HDPP4CHRNB2CHRNA4CHRNA7
SCHEMBL2258523 0.87 ABHD6 (0.54) ABHD6DAGLALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US disclosed
US-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 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-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 ABHD6 4063/4885DAGLA 4210/4885NPC1 2633/4885
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN ABHD6 410/4885DAGLA 1705/4885NPC1 2112/4885

“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.