SCHEMBL5578667

SCHEMBL5578667

O=C(c1ccccc1Cl)N1CCC2(CC1)CN(CCc1ccccc1)Cc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
OPRM1 P35372 2/20 0.43
KCNA5 P22460 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KCNH2 Q12809 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5579026 0.83 CYP2C9 (0.47) SIGMAR1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL5579055 0.82 SIGMAR1 (0.49) SIGMAR1HTR2BLMNAOPRM1
SCHEMBL5578645 0.81 SIGMAR1 (0.49) SIGMAR1HTR2BKMT2AALDH1A1OPRM1
SCHEMBL5578588 0.80 CYP2D6 (0.56) CYP2C9CYP2C19KMT2AALDH1A1LMNA
SCHEMBL5578789 0.78 HDAC1 (0.52) SIGMAR1HTR2BOPRM1KCNH2
SCHEMBL5578627 0.75 SIGMAR1 (0.49) SIGMAR1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL18209386 0.75 SIGMAR1 (0.59) SIGMAR1HTR2BOPRM1
SCHEMBL5578636 0.73 SIGMAR1 (0.55) SIGMAR1HTR2BOPRM1
SCHEMBL18221709 0.73 SIGMAR1 (0.67) SIGMAR1CYP2C9CYP2C19HTR2BALDH1A1
SCHEMBL5578737 0.73 SIGMAR1 (0.53) SIGMAR1HTR2BOPRM1

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 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

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 SIGMAR1 444/4885CYP2C9 818/4885CYP2C19 1019/4885

“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.