SCHEMBL4666491

SCHEMBL4666491

[O]CCC1CCN(CCCN2CCSCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.37
KDM1A O60341 1/20 0.36
CHRM2 P08172 13/20 0.35
CHRM1 P11229 13/20 0.35
CHRM4 P08173 12/20 0.35
CHRM5 P08912 12/20 0.35
CHRM3 P20309 12/20 0.35
DRD2 P14416 8/20 0.34
DRD4 P21917 8/20 0.34
DRD3 P35462 7/20 0.34
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL4666493 0.93 KDM1A (0.33) GNAO1KDM1AARG1ARG2
SCHEMBL4375229 0.85 KDM1A (0.38) GNAO1KDM1ACHRM2CHRM1CHRM4
SCHEMBL4664113 0.83 HRH3 (0.43) GNAO1CHRM2CHRM1CHRM4CHRM5
SCHEMBL4667708 0.83 GNAO1 (0.40) GNAO1CHRM2CHRM1CHRM4CHRM5
SCHEMBL4666494 0.82 ACHE (0.43) GNAO1KDM1ACHRM2CHRM1CHRM4
SCHEMBL4666482 0.81 HRH3 (0.46) GNAO1CHRM2CHRM1CHRM4CHRM5
SCHEMBL4664576 0.79 ALDH1A1 (0.48) GNAO1
SCHEMBL4665997 0.78 KDM1A (0.38) GNAO1KDM1A
SCHEMBL4375233 0.78 HRH3 (0.40) GNAO1KDM1ACHRM2CHRM1CHRM4
SCHEMBL4382650 0.77 KDM1A (0.35) KDM1AARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060148819-A1 Chemical compounds HENNEQUIN LAURENT F A 2006-07-06 US 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-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP 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-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 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 (5 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 GNAO1 1728/4885KDM1A 1956/4885CHRM2 1224/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 GNAO1 187/4885KDM1A 2997/4885CHRM2 2653/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 GNAO1 1348/4885KDM1A 3574/4885CHRM2 170/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 GNAO1 41/4885KDM1A 2487/4885CHRM2 232/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 GNAO1 388/4885KDM1A 1890/4885CHRM2 902/4885

“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.