SCHEMBL5578588

SCHEMBL5578588

COc1ccc(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)Cc2ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.56
TSHR P16473 4/20 0.56
CYP3A4 P08684 5/20 0.54
CYP2C9 P11712 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 3/20 0.50
HIF1A Q16665 3/20 0.50
LMNA P02545 1/20 0.49
USP2 O75604 7/20 0.49
CYP1A2 P05177 3/20 0.49
DRD2 P14416 2/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNA5 P22460 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.47
CYP2C19 P33261 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5578883 0.84 CYP2D6 (0.49) CYP2D6TSHRCYP3A4CYP2C9SMN1; SMN2
SCHEMBL5578667 0.80 SIGMAR1 (0.47) CYP2C9LMNAALDH1A1HPGDMEN1
SCHEMBL25284686 0.79 DRD2 (0.75) CYP2D6TSHRLMNADRD2ALDH1A1
SCHEMBL5579055 0.77 SIGMAR1 (0.49) TSHRLMNADRD2
SCHEMBL5578645 0.77 SIGMAR1 (0.49) TSHRUSP2ALDH1A1MEN1KMT2A
SCHEMBL25244878 0.75 DRD2 (0.69) CYP2D6CYP3A4LMNADRD2ALDH1A1
SCHEMBL18209386 0.74 SIGMAR1 (0.59) CYP2D6DRD2
SCHEMBL18221709 0.73 SIGMAR1 (0.67) CYP2D6TSHRCYP3A4CYP2C9CYP1A2
SCHEMBL5578836 0.73 SMN1; SMN2 (0.57) CYP2D6TSHRCYP3A4CYP2C9SMN1; SMN2
SCHEMBL25284745 0.73 DRD2 (0.88) CYP2D6TSHRLMNADRD2ALDH1A1

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
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 CYP2D6 297/4885TSHR 3350/4885CYP3A4 1137/4885

“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.