SCHEMBL317746

SCHEMBL317746

Cc1ccc2[nH]c(C)c(-c3ccnc4c(F)cccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.53
CYP2C9 P11712 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
TGFBR1 P36897 1/20 0.40
BCHE P06276 1/20 0.39
EIF2AK2 P19525 2/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 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
SCHEMBL2952908 0.87 PTGDR2 (0.51) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2953572 0.86 KIF11 (0.43) PTGDR2TGFBR1EIF2AK2GSK3BCDK5
SCHEMBL317661 0.85 PTGDR2 (0.54) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL317189 0.85 PTGDR2 (0.53) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2955003 0.80 MAPK14 (0.47) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL317790 0.79 ACHE (0.40) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2961347 0.78 PTGDR2 (0.44) PTGDR2EIF2AK2CDK5CDK5R1MAPK14
Hydrochloric Acid SCHEMBL2952627 0.78 CYP2C9 (0.39) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL3042442 0.78 HTR1A (0.42) PTGDR2PTGS1BCHEFLT3GSK3A
SCHEMBL317503 0.78 KIF11 (0.46) PTGDR2PTGS1PTGS2BCHEEIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 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 (2 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 429/4885CYP2C9 378/4885PTGS1 413/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 PTGDR2 54/4885CYP2C9 3502/4885PTGS1 191/4885

“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.