SCHEMBL2952908

SCHEMBL2952908

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.51
PTGS2 P35354 2/20 0.51
CYP2C9 P11712 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
BCHE P06276 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL2955003 0.87 MAPK14 (0.47) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL317746 0.87 PTGDR2 (0.53) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL317189 0.87 PTGDR2 (0.53) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL317790 0.86 ACHE (0.40) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
Hydrochloric Acid SCHEMBL2952627 0.85 CYP2C9 (0.39) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL317793 0.85 EIF2AK2 (0.50) BCHEFLT3ACHEMEN1KMT2A
SCHEMBL317661 0.85 PTGDR2 (0.54) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL2958277 0.84 NR1H2 (0.44) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL317230 0.83 MEN1 (0.44) PTGDR2PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL3042442 0.80 HTR1A (0.42) PTGDR2PTGS1HTR1AADRA1DADRA1A

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
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
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO 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 429/4885PTGS2 559/4885CYP2C9 378/4885
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 54/4885PTGS2 169/4885CYP2C9 3502/4885

“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.