SCHEMBL3442115

SCHEMBL3442115

CCC(C(=O)Nc1nc(N(C)C)n(-c2ccccc2)c1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.47
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KCNQ2 O43526 7/20 0.42
KCNQ3 O43525 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNQ4 P56696 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3441752 0.86 SMN1; SMN2 (0.39) ELOVL1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4667721 0.85 ELOVL1 (0.49) ELOVL1ALDH1A1L3MBTL1KCNQ2KCNQ3
SCHEMBL3441880 0.83 TSHR (0.45) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL3441699 0.82 ALDH1A1 (0.43) ALDH1A1KCNQ2KCNQ3POLBMEN1
SCHEMBL3441644 0.82 AKT1 (0.35) ALDH1A1CYP1A2CYP2D6POLBCRHBP
SCHEMBL3441392 0.81 CACNA1G (0.42) ELOVL1ALDH1A1KMT2ALMNAHTT
SCHEMBL3441522 0.81 HSD17B10 (0.38) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL3441887 0.80 ALDH1A1 (0.35) ALDH1A1POLBHTTSMN1; SMN2MAPT
SCHEMBL3441894 0.80 TSHR (0.44) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL3441444 0.80 ALDH1A1 (0.44) ALDH1A1POLBKMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812026-B2 Imidazole derivatives having a positive allosteric GABAB receptor modulator effect and methods of use ASTRAZENECA AB (SE) 2010-10-12 US claimed
US-20090149474-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-06-11 US claimed
US-7812026-B2 Imidazole derivatives having a positive allosteric GABAB receptor modulator effect and methods of use ASTRAZENECA AB (SE) 2010-10-12 US disclosed
US-7812026-B2 Imidazole derivatives having a positive allosteric GABAB receptor modulator effect and methods of use ASTRAZENECA AB (SE) 2010-10-12 US disclosed
US-7812026-B2 Imidazole derivatives having a positive allosteric GABAB receptor modulator effect and methods of use ASTRAZENECA AB (SE) 2010-10-12 US disclosed
US-20090149474-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090149474-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090149474-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-06-11 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 (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-20090149474-A1 GABA-B RECEPTOR MODULATORS GABRB1, GABBR2, GABRB2 ELOVL1 3776/4885ALDH1A1 1302/4885L3MBTL1 3291/4885

“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.