SCHEMBL771779

SCHEMBL771779

[CH2]CC1CCN(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.42
KCNH2 Q12809 2/20 0.35
HTR4 Q13639 2/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNA7 P36544 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL4377486 0.82 HRH3 (0.45) HRH3KCNH2HTR4CYP2D6
SCHEMBL25122685 0.80 HRH3 (0.50) HRH3KCNH2HTR4CYP2D6CHRNA7
SCHEMBL25480233 0.80 HRH3 (0.44) HRH3KCNH2HTR4CYP2D6CHRNA7
SCHEMBL9035222 0.79 HRH3 (0.43) HRH3KCNH2HTR4CYP2D6KDM1A
SCHEMBL12890856 0.78 HRH3 (0.43) HRH3KCNH2HTR4CYP2D6CHRNA7
SCHEMBL178291 0.78 HRH3 (0.43) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL5757957 0.76 HRH3 (0.42) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL102379 0.76 HRH3 (0.42) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL2943697 0.76 HRH3 (0.51) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL31272933 0.76 HRH3 (0.47) HRH3KCNH2HTR4CYP2D6KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN claimed
CN-102153562-A Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2011-08-17 CN claimed
CN-101184761-A Spiro-indolone compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-05-21 CN claimed
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 claimed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP claimed
CN-1161352-C Quinazoline derivatives 2004-08-11 CN claimed
CN-1322202-A Quinazoline derivatives ASTRA ZENECA N V (SE) 2001-11-14 CN claimed
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN disclosed
CN-103271906-A Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC 2013-09-04 CN disclosed
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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
CN-102153562-A Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2011-08-17 CN 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 (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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR HRH3 739/4885KCNH2 1496/4885HTR4 4005/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885KCNH2 3813/4885HTR4 4806/4885

“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.