SCHEMBL3965874

SCHEMBL3965874

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 4/20 0.49
FABP4 P15090 4/20 0.49
PRNP P04156 1/20 0.49
PPARG P37231 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
FABP5 Q01469 3/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL3965677 0.91 HTT (0.45) FABP3FABP4FABP5IDO1TDO2
SCHEMBL2823526 0.90 IDO1 (0.43) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL3964495 0.90 SMN1; SMN2 (0.50) FABP3FABP4RXFP1FABP5IDO1
SCHEMBL2820857 0.90 IDO1 (0.43) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL2821180 0.89 IDO1 (0.42) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL3965628 0.87 IDO1 (0.41) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL13872382 0.84 FABP3 (0.45) FABP3FABP4FABP5IDO1TDO2
SCHEMBL3970177 0.83 SMN1; SMN2 (0.40) FABP3FABP4RXFP1FABP5IDO1
SCHEMBL3961778 0.83 IDO1 (0.44) IDO1TDO2IDO2ALDH1A1KDM4E
SCHEMBL4138770 0.82 IDO1 (0.43) IDO1TDO2IDO2ALDH1A1KDM4E

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 FABP3 1219/4885FABP4 3228/4885PRNP 3104/4885

“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.