SCHEMBL4664115

SCHEMBL4664115

[O]CCC1CCN(CCCC2CCNC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.50
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
GNAI3 P08754 5/20 0.36
GNAI1 P63096 5/20 0.36
CXCR4 P61073 1/20 0.35
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 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
SCHEMBL4666484 0.91 GNAO1 (0.41) GNAO1CXCR4NAAAHRH3
SCHEMBL4373301 0.89 GNAO1 (0.48) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL4667710 0.89 GNAO1 (0.43) GNAO1GNAI3GNAI1CXCR4CHRM1
SCHEMBL4664558 0.83 GNAO1 (0.48) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL3395893 0.82 CXCR4 (0.50) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL4375689 0.81 GNAO1 (0.45) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL4385968 0.80 NAAA (0.41) GNAO1CXCR4NAAAHRH3
SCHEMBL197439 0.79
SCHEMBL2750958 0.78 GNAO1 (0.42) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL4157945 0.77 GNAO1 (0.47) GNAO1GNAI3GNAI1CXCR4SLC6A1

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 10 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-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-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 1728/4885ITGB3 1849/4885ITGA2B 2923/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 GNAO1 187/4885ITGB3 2206/4885ITGA2B 3389/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 GNAO1 1348/4885ITGB3 1548/4885ITGA2B 4089/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 GNAO1 41/4885ITGB3 2010/4885ITGA2B 4158/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 GNAO1 388/4885ITGB3 949/4885ITGA2B 2922/4885

“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.