SCHEMBL4378930

SCHEMBL4378930

[CH2]CCC1CCN(CCOC)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
KDM1A O60341 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
GSK3B P49841 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
GNAO1 P09471 1/20 0.35

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
SCHEMBL23205040 0.86 KDM1A (0.40) HSD11B1KDM1AHRH3GNAO1
SCHEMBL4376649 0.85 HSD11B1 (0.39) HSD11B1KDM1ADRD2DRD3KCNH2
SCHEMBL4380526 0.85 KDM1A (0.39) HSD11B1KDM1AGSK3BLIPG
SCHEMBL6750686 0.83 HRH3 (0.49) HSD11B1KDM1ADRD2DRD3HRH3
SCHEMBL7150506 0.82 CYP2D6 (0.43) DRD2DRD3HRH3GNAO1
SCHEMBL4371147 0.82 HRH3 (0.39) HSD11B1KDM1ADRD2DRD3KCNH2
SCHEMBL4376655 0.81 ACHE (0.44) HSD11B1KDM1AKCNH2CACNA1IGSK3B
SCHEMBL4388766 0.81 HSD11B1 (0.41) HSD11B1KDM1AKCNH2CACNA1IGSK3B
SCHEMBL21101353 0.81 KDM1A (0.35) HSD11B1KDM1AHRH3GNAO1
SCHEMBL20154540 0.80 HRH3 (0.52) KDM1ADRD2DRD3KCNH2HRH3

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 US claimed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
CN-100360505-C Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2008-01-09 CN disclosed
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US disclosed
CN-1315822-C Quinoline derivatives having VEGF inhibiting activity STRAZENECA AB (SE) 2007-05-16 CN disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
CN-1322202-A Quinazoline derivatives ASTRA ZENECA N V (SE) 2001-11-14 CN disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 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-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 HSD11B1 3018/4885KDM1A 1956/4885DRD2 1697/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR HSD11B1 2820/4885KDM1A 2417/4885DRD2 3359/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 HSD11B1 694/4885KDM1A 1030/4885DRD2 463/4885

“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.