SCHEMBL3961778

SCHEMBL3961778

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
PRKAA2 P54646 1/20 0.42
DPP4 P27487 1/20 0.41
MAPT P10636 6/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 4/20 0.39
NPY5R Q15761 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
DHODH Q02127 1/20 0.38
GCGR P47871 1/20 0.38
LMNA P02545 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
IKBKB O14920 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3962968 0.92 IDO1 (0.42) IDO1TDO2IDO2PRKAA2DPP4
SCHEMBL3964828 0.83 KCNH2 (0.43) IDO1TDO2IDO2MAPTTP53
SCHEMBL3965874 0.83 FABP3 (0.49) IDO1TDO2IDO2MAPTTP53
SCHEMBL3970478 0.82 KDM4E (0.47) IDO1TDO2IDO2MAPTTP53
SCHEMBL4138770 0.82 IDO1 (0.43) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL3963746 0.81 MCHR1 (0.42) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL3969490 0.81 KCNH2 (0.41) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL3964495 0.81 SMN1; SMN2 (0.50) IDO1TDO2IDO2MAPTTP53
SCHEMBL3963734 0.81 DRD2 (0.45) IDO1TDO2IDO2TP53KDM4E
SCHEMBL3970359 0.80 ELOVL1 (0.46) IDO1TDO2IDO2MAPTKDM4E

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 5 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 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 IDO1 996/4885TDO2 2448/4885IDO2 1281/4885

“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.