SCHEMBL2023757

SCHEMBL2023757

CCOC(=O)CCn1ccc2c(/C(=N/C#N)N3CC4(C)CC3CC(C)(C)C4)cccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.42
CREBBP Q92793 1/20 0.41
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2023759 1.00 NPSR1 (0.42) NPSR1CREBBPLMNAHPGDMAPT
SCHEMBL1093123 0.87 LMNA (0.51) NPSR1CREBBPLMNAHPGDALDH1A1
SCHEMBL1092979 0.76 LMNA (0.53) NPSR1LMNAHPGDALDH1A1TDP1
SCHEMBL1306407 0.72 ALDH1A1 (0.52) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL4594695 0.70 ALDH1A1 (0.49) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL399775 0.68 MAPT (0.58) CREBBPMAPTALDH1A1TDP1
SCHEMBL10113702 0.67 CREBBP (0.58) NPSR1CREBBPLMNAMAPTL3MBTL1
SCHEMBL401803 0.65 CREBBP (0.58) NPSR1CREBBPLMNAL3MBTL1ALDH1A1
SCHEMBL5967701 0.65 LMNA (0.57) NPSR1LMNAHPGDALDH1A1TDP1
SCHEMBL11517556 0.64 MAPT (0.55) NPSR1LMNAHPGDMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 NPSR1 912/4885CREBBP 1278/4885LMNA 3575/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 NPSR1 1147/4885CREBBP 1371/4885LMNA 4087/4885

“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.