SCHEMBL5579101

SCHEMBL5579101

C=CCN1CCC2(CC1)CN(C(=O)c1cccs1)c1ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.38
KCNA5 P22460 1/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5578666 0.87 HDAC1 (0.45) ALDH1A1GAATSHRNPC1TP53
SCHEMBL5578892 0.87 ALDH1A1 (0.38) ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL5579022 0.85 SIGMAR1 (0.38)
SCHEMBL5578749 0.85 MAPT (0.41) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5578578 0.85 ALDH1A1 (0.43) ALDH1A1GAAKCNA5
SCHEMBL5578903 0.85 NPC1 (0.38) ALDH1A1TSHRNPC1TP53RAB9A
SCHEMBL5578688 0.84 HDAC1 (0.48) TSHRMAPTMAPK1
SCHEMBL5578712 0.84 HDAC1 (0.43) TSHRTP53
SCHEMBL5616027 0.84 SIGMAR1 (0.43) ALDH1A1KCNA5TSHRNPC1RAB9A
SCHEMBL5579054 0.83 CYP2D6 (0.44) ALDH1A1GAATSHRMAPK1

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 (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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL ALDH1A1 634/4885GAA 2663/4885KCNA5 156/4885

“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.