SCHEMBL3595274

SCHEMBL3595274

CN1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HTR6 P50406 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
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

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
SCHEMBL3594430 0.94 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3597934 0.91 CACNB4 (0.44) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3602275 0.91 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3596984 0.90 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3596985 0.90 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3596986 0.90 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3586209 0.90 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL3596441 0.90 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3598774 0.90 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3602621 0.90 ACHE (0.39) ALDH1A1MAPTMAPK1CYP2D6CYP2C19

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 HTR7 1089/4885LMNA 4335/4885ALDH1A1 4118/4885

“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.