SCHEMBL5578883

SCHEMBL5578883

COc1ccc(C(=O)N2CCC3(CC2)CN(CC2CC2)Cc2ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 4/20 0.48
CYP2C9 P11712 4/20 0.48
HIF1A Q16665 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 5/20 0.48
USP2 O75604 8/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM2B Q8NHM5 4/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5578588 0.84 CYP2D6 (0.56) CYP2D6TSHRMAPK1CYP2C9HIF1A
SCHEMBL5579026 0.79 CYP2C9 (0.47) CYP2C9ALDH1A1KDM2BCYP2C19KMT2A
SCHEMBL5578437 0.78 SIGMAR1 (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5578659 0.76 SIGMAR1 (0.46) TSHRALDH1A1
SCHEMBL5578836 0.74 SMN1; SMN2 (0.57) CYP2D6TSHRMAPK1CYP2C9HIF1A
SCHEMBL12934903 0.73 KCNH2 (0.56)
SCHEMBL11939126 0.73 SIGMAR1 (0.47) ALDH1A1POLB
Hydrochloric Acid SCHEMBL1747839 0.72 KCNH2 (0.56)
SCHEMBL12934785 0.70 KCNH2 (0.49) POLB
SCHEMBL12934766 0.70 SIGMAR1 (0.64) CYP2D6TSHRCYP2C9CYP3A4CYP1A2

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 6 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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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
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 3350/4885MAPK1 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.