SCHEMBL3923439

SCHEMBL3923439

CC(C)(C)OC(=O)N1CCN(CCOc2ccc3c(c2)cc(-c2nn(C(=O)OC(C)(C)C)c4ccc(O[PH](=O)CO)cc24)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR4 P46093 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ EPHX2 P34913 7/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ SQOR Q9Y6N5 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ MAP2K4 P45985 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL3921357 0.88 GPR4 (0.43) GPR4NR1H2EPHX2GPR119SQOR
SCHEMBL3919827 0.86 GPR4 (0.42) GPR4NR1H2EPHX2CHRM2CHRM4
SCHEMBL3923435 0.86 GPR4 (0.41) GPR4NR1H2EPHX2GPR119SQOR
SCHEMBL3929576 0.80 BRD4 (0.39) NR1H2ATRATRIP
SCHEMBL3923323 0.80 BRD4 (0.43) NR1H2ATRATRIP
SCHEMBL3923334 0.79 MCHR1 (0.44) NR1H2ATRATRIP
SCHEMBL3929570 0.77 BRD4 (0.39) NR1H2ATRATRIP
SCHEMBL3920962 0.73 NR1H2 (0.45) NR1H2MAP2K4
SCHEMBL3921577 0.73 NR1H2 (0.45) NR1H2MAP2K4
SCHEMBL3920773 0.71 NR1H2 (0.44) NR1H2MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 — — US disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 — — 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 GPR4 2045/4885NR1H2 2030/4885EPHX2 1455/4885

“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.

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