SCHEMBL3961795

SCHEMBL3961795

Cc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(C)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.49
PRNP P04156 1/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CASP3 P42574 4/20 0.44
DHODH Q02127 2/20 0.41
GCGR P47871 7/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 1/20 0.40
PTGFR P43088 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13881529 0.90 RXFP1 (0.48) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL3969542 0.79 CASP3 (0.40) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL13881531 0.79 RXFP1 (0.60) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL3970605 0.79 PRNP (0.79) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL4138770 0.78 IDO1 (0.43) ALDH1A1CASP3DHODHGCGRCYP1A2
SCHEMBL4146761 0.78 KDM4E (0.48) ALDH1A1
SCHEMBL3970468 0.78 ALDH1A1 (0.79) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL13881528 0.78 ALDH1A1 (0.60) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL27684995 0.78 RXFP1 (0.65) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL3961796 0.77 RXFP1 (0.48) RXFP1PRNPPPARGNR2E3NCOR2

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 RXFP1 40/4885PRNP 3104/4885PPARG 615/4885

“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.