SCHEMBL4743239

SCHEMBL4743239

CC(C)(C)OC(=O)NCCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
DRD2 P14416 9/20 0.57
TDP1 Q9NUW8 1/20 0.53
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CNR2 P34972 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
Iodide SCHEMBL15145961 0.97 DRD2 (0.57) ACHEBACE1DRD2TDP1SIGMAR1
SCHEMBL31596990 0.95 DRD2 (0.58) ACHEBACE1DRD2TDP1SIGMAR1
SCHEMBL9127008 0.94 DRD2 (0.60) ACHEBACE1DRD2TDP1SIGMAR1
SCHEMBL4572542 0.92 DRD2 (0.60) ACHEBACE1DRD2TDP1SIGMAR1
SCHEMBL8254760 0.92 DRD2 (0.64) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL485945 0.90 DRD2 (0.55) ACHEBACE1DRD2TDP1MEN1
SCHEMBL7220892 0.90 DRD2 (0.55) ACHEBACE1DRD2TDP1MEN1
SCHEMBL4024516 0.89 DRD2 (0.56) ACHEBACE1DRD2TDP1MEN1
SCHEMBL18851206 0.88 DRD2 (0.56) ACHEBACE1DRD2TDP1SIGMAR1
Biphenyl SCHEMBL28784863 0.88 DRD2 (0.62) ACHEBACE1DRD2SIGMAR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206724-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-06-26 US disclosed
EP-4499612-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2025-02-05 EP disclosed
CN-118974020-A Substituted 3-aminoindazole derivatives as kinase inhibitors 内尔维亚诺医疗科学公司 2024-11-15 CN disclosed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed
EP-1341785-B1 HYDROLYSIS OF R(R*,R*)-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4- [(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID ESTERS WITH CALCIUM HYDROXIDE TEVA PHARMA (IL) 2008-10-08 EP disclosed
WO-2008110351-A2 USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS DOMPE' PHA.R.MA S.P.A. (IT) 2008-09-18 WO disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO disclosed
US-20040242670-A1 Process for preparation of amorphous atorvastatin calcium SEBASTIAN SONNY (IN) 2004-12-02 US disclosed
US-6476235-B2 CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS WARNER-LAMBERT COMPANY 2002-11-05 US disclosed
US-20020099224-A1 Hydrolysis of [R (R*, R*)]-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid esters with calcium hydroxide TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-07-25 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 (3 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-20020099224-A1 Hydrolysis of [R (R*, R*)]-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid esters with calcium hydroxide HMGCR, DHCR7, GRHPR ACHE 1671/4885BACE1 357/4885DRD2 3911/4885
US-20250206724-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS CDK1, CDK11A, CDK3 ACHE 4816/4885BACE1 3894/4885DRD2 4808/4885
US-20040242670-A1 Process for preparation of amorphous atorvastatin calcium HMGCR, CACNA1S, SREBF1 ACHE 1989/4885BACE1 481/4885DRD2 4531/4885

“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.