SCHEMBL5578877

SCHEMBL5578877

O=C(C1CCC1)N1CCC2(CC1)CN(C(Cc1ccccc1)C1=COCO1)c1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TACR1 P25103 6/20 0.35
CHRM1 P11229 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
CCR5 P51681 1/20 0.34
NPY5R Q15761 1/20 0.34
TACR2 P21452 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5579059 0.87 TACR1 (0.42) TACR1HDAC1HDAC6NPY5RHDAC8
SCHEMBL5578558 0.85 TACR1 (0.39) TACR1HDAC1HDAC6NPY5RHDAC8
SCHEMBL5578725 0.82 AVPR1A (0.46) MEN1KMT2AALDH1A1CCR5KDM4E
SCHEMBL5578492 0.76 HSD11B1 (0.39) MEN1KMT2ATSHRALDH1A1TACR1
SCHEMBL5578865 0.73 HTT (0.47) MEN1KMT2ATSHRALDH1A1CHRM1
SCHEMBL5578579 0.70 HDAC8 (0.35) MEN1KMT2ATACR1CHRM1HDAC8
SCHEMBL5578515 0.69 HDAC1 (0.44) MEN1KMT2ATSHRALDH1A1MAPK1
SCHEMBL5578870 0.68 HCRTR1 (0.43) MEN1KMT2AALDH1A1MAPK1CHRM1
SCHEMBL3560071 0.67 ACE (0.46) TSHRALDH1A1
SCHEMBL2853081 0.66 CHRM1 (0.41) TSHRALDH1A1MAPK1CHRM1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed
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 MEN1 882/4885KMT2A 1940/4885TSHR 3350/4885

“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.