SCHEMBL3963746

SCHEMBL3963746

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1COc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 2/20 0.40
HTR2B P41595 1/20 0.40
PTGS2 P35354 1/20 0.40
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
FGFR1 P11362 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL3963734 0.92 DRD2 (0.45) MCHR1DRD2DRD3HTR1AHTR2A
SCHEMBL3964828 0.85 KCNH2 (0.43) KCNH2IDO1TDO2IDO2KDM4E
SCHEMBL4198373 0.84 KCNH2 (0.39) MCHR1KCNH2FGFR1HRH3
SCHEMBL3962208 0.84 HTR2A (0.47) MCHR1DRD2DRD3HTR1AHTR2A
SCHEMBL3969490 0.84 KCNH2 (0.41) KCNH2KDM4EHRH3PIK3CAALDH1A1
SCHEMBL13872382 0.82 FABP3 (0.45) MCHR1KCNH2HTR2BIDO1TDO2
SCHEMBL3970649 0.82 KCNH2 (0.41) KCNH2PTGS2IDO1TDO2IDO2
SCHEMBL3961778 0.81 IDO1 (0.44) IDO1TDO2IDO2KDM4EPOLB
SCHEMBL3966727 0.81 PIK3CD (0.40) HRH1KCNH2IDO1TDO2IDO2
SCHEMBL3971049 0.81 FGFR1 (0.41) MCHR1DRD2DRD3HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO claimed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US 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 (1 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-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 MCHR1 455/4885DRD2 588/4885DRD3 886/4885

“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.