SCHEMBL3965628

SCHEMBL3965628

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
FABP3 P05413 3/20 0.39
FABP4 P15090 3/20 0.39
FABP5 Q01469 2/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3964495 0.89 SMN1; SMN2 (0.50) IDO1TDO2IDO2FABP3FABP4
SCHEMBL3965874 0.87 FABP3 (0.49) IDO1TDO2IDO2FABP3FABP4
SCHEMBL2823526 0.85 IDO1 (0.43) IDO1TDO2IDO2FABP3FABP4
SCHEMBL2820857 0.85 IDO1 (0.43) IDO1TDO2IDO2FABP3FABP4
SCHEMBL3970177 0.85 SMN1; SMN2 (0.40) IDO1TDO2IDO2FABP3FABP4
SCHEMBL2821180 0.84 IDO1 (0.42) IDO1TDO2IDO2FABP3FABP4
SCHEMBL3965677 0.84 HTT (0.45) IDO1TDO2IDO2FABP3FABP4
SCHEMBL13872382 0.84 FABP3 (0.45) IDO1TDO2IDO2FABP3FABP4
SCHEMBL3964820 0.81 PRNP (0.58) FABP3FABP4SMN1; SMN2MEN1KMT2A
SCHEMBL3961778 0.79 IDO1 (0.44) IDO1TDO2IDO2MAPTMEN1

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 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.