SCHEMBL772002

SCHEMBL772002

[CH2]CCC1CCCN(CC)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
CCR2 P41597 3/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MAOB P27338 2/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM2B Q8NHM5 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
SCHEMBL9996572 0.89 CYP1A2 (0.35) HSD11B1CCR2KCNH2CYP1A2DRD2
SCHEMBL9996570 0.88 SMN1; SMN2 (0.38) HSD11B1CYP3A4CYP1A2CYP2D6DRD2
SCHEMBL4377466 0.85 HSD11B1 (0.39) HSD11B1CCR2KCNH2CYP3A4CYP1A2
SCHEMBL771666 0.84 DRD2 (0.36) HSD11B1CCR2KCNH2CYP3A4CYP1A2
SCHEMBL14400435 0.84 HSD11B1 (0.38) HSD11B1CCR2KCNH2CYP1A2DRD2
Hydrochloric Acid SCHEMBL30212673 0.82 HSD11B1 (0.37) HSD11B1CCR2KCNH2CYP3A4CYP1A2
Fluoride SCHEMBL30330649 0.82 HSD11B1 (0.37) HSD11B1CCR2KCNH2CYP1A2DRD2
SCHEMBL4377491 0.81 HSD11B1 (0.37) HSD11B1CCR2KCNH2CYP3A4CYP1A2
SCHEMBL4377471 0.81 HSD11B1 (0.39) HSD11B1CCR2KCNH2CYP3A4CYP1A2
SCHEMBL11199639 0.81 CCR2 (0.36) HSD11B1CCR2KCNH2CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US 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
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
CN-1346271-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA UK LTD (SE) 2002-04-24 CN disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY 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 (4 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-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HSD11B1 122/4885CCR2 1176/4885KCNH2 155/4885
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 HSD11B1 3018/4885CCR2 1041/4885KCNH2 263/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR HSD11B1 2820/4885CCR2 1314/4885KCNH2 1496/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HSD11B1 1382/4885CCR2 2459/4885KCNH2 3813/4885

“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.