SCHEMBL4442263

SCHEMBL4442263

CC(=O)NCC(C)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.52
▸ GRIA4 P48058 1/20 0.50
▸ DHFR P00374 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MTNR1A P48039 7/20 0.42
▸ MTNR1B P49286 7/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ AOC3 Q16853 1/20 0.39

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
SCHEMBL28302050 1.00 ACACB (0.52) ACACBGRIA4DHFRTSHRSMN1; SMN2
SCHEMBL28303465 1.00 ACACB (0.52) ACACBGRIA4DHFRTSHRSMN1; SMN2
SCHEMBL9510562 0.84 ACACB (0.54) ACACBTSHRSMN1; SMN2TDP1NPC1
SCHEMBL11322693 0.82 ACACB (0.52) ACACBGRIA4SMN1; SMN2NPC1MTNR1A
SCHEMBL4760955 0.82 ACACB (0.52) ACACBTSHRNPC1MTNR1AMTNR1B
SCHEMBL2091303 0.81 MTNR1A (0.60) ACACBSMN1; SMN2TDP1NPC1MTNR1A
SCHEMBL8384245 0.81 MTNR1A (0.60) ACACBSMN1; SMN2TDP1NPC1MTNR1A
SCHEMBL8384291 0.81 MTNR1A (0.60) ACACBSMN1; SMN2TDP1NPC1MTNR1A
SCHEMBL9512709 0.79 MTNR1A (0.67) ACACBSMN1; SMN2NPC1MTNR1AMTNR1B
SCHEMBL9212485 0.79 NPC1 (0.41) ACACBGRIA4DHFRTSHRSMN1; 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
CN-109942499-B Quinazoline derivative and preparation method and application thereof 湖南中医药大学 2022-03-22 — — CN disclosed
CN-109942499-A Quinazoline derivant and its preparation method and application 湖南中医药大学 2019-06-28 — — CN disclosed
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 — — EP disclosed
US-8207350-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES (US) 2012-06-26 — — US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 — — EP disclosed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 — — US disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 — — WO disclosed
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 — — 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-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885GRIA4 3874/4885DHFR 1648/4885
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ACACA, ACACB, ACAT1 ACACB 2/4885GRIA4 3874/4885DHFR 1648/4885

“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.

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