SCHEMBL1789882

SCHEMBL1789882

CC(C)N1CCCC(C[O])C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.39
CCR2 P41597 1/20 0.39
CYP2D6 P10635 7/20 0.38
GHSR Q92847 7/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KAT2B Q92831 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4372402 0.87 HRH3 (0.38) KCNH2CCR2CYP2D6
SCHEMBL4384507 0.84 KCNH2 (0.38) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL9926452 0.83 KCNH2 (0.36) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL21037748 0.83 KCNH2 (0.36) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL16376634 0.83 KCNH2 (0.36) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL14210643 0.83 KCNH2 (0.36) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL4373846 0.82 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL12209133 0.82 NCF1 (0.39) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL18269024 0.82 CYP2D6 (0.37) KCNH2CCR2CYP2D6GHSRDRD2
SCHEMBL10017898 0.82 LIPE (0.39) KCNH2CCR2CYP2D6GHSRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP 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 (8 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R KCNH2 1919/4885CCR2 1650/4885CYP2D6 3212/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R KCNH2 3429/4885CCR2 1346/4885CYP2D6 3086/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R KCNH2 3042/4885CCR2 536/4885CYP2D6 4489/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR KCNH2 1496/4885CCR2 1314/4885CYP2D6 1313/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 KCNH2 327/4885CCR2 1036/4885CYP2D6 2264/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R KCNH2 1919/4885CCR2 1650/4885CYP2D6 3212/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 KCNH2 422/4885CCR2 500/4885CYP2D6 301/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 KCNH2 219/4885CCR2 33/4885CYP2D6 2146/4885

“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.