SCHEMBL5663191

SCHEMBL5663191

Nc1ccc(C(=O)N2CCCC3CCCCC32)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.48
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 1/20 0.44
HSD17B1 P14061 1/20 0.43
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CRBN Q96SW2 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
SCHEMBL5663190 0.84 HSD11B1 (0.48) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL3910795 0.83 HSD11B1 (0.53) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL5946875 0.81 HSD11B1 (0.54) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL5662264 0.81 POLB (0.42) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL3910792 0.78 HSD11B1 (0.51) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL5662903 0.78 CNR2 (0.52) HSD11B1CNR2HPGDRAB9ASMN1; SMN2
SCHEMBL5946691 0.77 HSD11B1 (0.59) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL5946765 0.77 HSD11B1 (0.59) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL5946802 0.77 TP53 (0.47) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL5472445 0.76 HSD11B1 (0.48) HSD11B1POLBTDP1CNR2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20060205772-A1 Amide derivatives and their use as inhibitors of 11-beta-hydroxysteroid dehydrogenase type I COPPOLA GARY M 2006-09-14 US disclosed
EP-1590319-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Novartis AG (CH) 2005-11-02 EP disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2004065351-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 NOVARTIS AG (CH) 2004-08-05 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HSD11B1 4758/4885POLB 2618/4885TDP1 2237/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HSD11B1 4783/4885POLB 2324/4885TDP1 2562/4885
US-20060205772-A1 Amide derivatives and their use as inhibitors of 11-beta-hydroxysteroid dehydrogenase type I HSD11B1, HSD11B2, CYP11B1 HSD11B1 1/4885POLB 3116/4885TDP1 3799/4885

“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.