SCHEMBL3589423

SCHEMBL3589423

Cc1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CACNA1C Q13936 2/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37
CACNB2 Q08289 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1E Q15878 1/20 0.37
CACNA2D4 Q7Z3S7 1/20 0.37

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
SCHEMBL3598580 0.95 MAPT (0.39) MAOAACHEMAPTPKMMAPK1
SCHEMBL3592076 0.93 SIGMAR1 (0.41) MAOAMAOBACHEMAPTPKM
SCHEMBL3598299 0.92 HRH1 (0.39) MAOAACHEMAPTPKMMAPK1
SCHEMBL3592557 0.91 SIGMAR1 (0.40) MAOAACHEMAPTPKMMAPK1
SCHEMBL3600499 0.91 HRH1 (0.37) MAOAMAOBACHEMAPTPKM
SCHEMBL3582964 0.91 CNR2 (0.41) CACNA1CSMN1; SMN2PGRCHRM2ABCB1
SCHEMBL13254125 0.90 SIGMAR1 (0.37) MAOAMAOBCACNA1CACHEFAAH
SCHEMBL13282376 0.90 SIGMAR1 (0.39) MAOACACNA1CACHEFAAHPGR
SCHEMBL3590079 0.90 EPHX2 (0.38) MAOAACHEMAPTPKMMAPK1
SCHEMBL14160060 0.89 CACNA1C (0.38) CACNA1CCACNB4CACNA1ACACNA1GCACNG3

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MAOA 3671/4885MAOB 3941/4885CACNA1C 3732/4885

“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.