SCHEMBL5578836

SCHEMBL5578836

COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)c2ccc(OC)cc2)c2ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
CYP2C9 P11712 5/20 0.57
MAPK1 P28482 5/20 0.57
HIF1A Q16665 3/20 0.57
USP2 O75604 7/20 0.55
ALDH1A1 P00352 6/20 0.55
CYP3A4 P08684 4/20 0.55
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.53
CYP2D6 P10635 5/20 0.53
CYP1A2 P05177 2/20 0.53
TSHR P16473 4/20 0.53
HSD17B10 Q99714 4/20 0.53
CYP2C19 P33261 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 4/20 0.52
HDAC1 Q13547 1/20 0.51

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
SCHEMBL5578763 0.84 HDAC1 (0.53) MEN1KMT2AHDAC1HDAC6
SCHEMBL5578615 0.79 HTT (0.55) SMN1; SMN2CYP2C9ALDH1A1POLBTSHR
SCHEMBL5579009 0.77 HPGD (0.58) SMN1; SMN2CYP2C9USP2ALDH1A1CYP3A4
SCHEMBL5578832 0.76 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL26969728 0.74 HDAC1 (0.61) SMN1; SMN2RAB9ACYP2C19MEN1KMT2A
SCHEMBL5578883 0.74 CYP2D6 (0.49) SMN1; SMN2CYP2C9MAPK1HIF1AUSP2
SCHEMBL5579046 0.73 RXFP1 (0.57) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL5578588 0.73 CYP2D6 (0.56) SMN1; SMN2CYP2C9MAPK1HIF1AUSP2
SCHEMBL20631562 0.73 HPGD (0.86) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL5578451 0.73 KCNH2 (0.46) ALDH1A1CYP3A4CYP2D6CYP1A2TSHR

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 SMN1; SMN2 236/4885CYP2C9 818/4885MAPK1 2772/4885

“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.