SCHEMBL4049250

SCHEMBL4049250

COc1ccc2c(c1)cc1n2CCN(C)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
RYR2 Q92736 1/20 0.41
DRD1 P21728 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
SCHEMBL26839172 0.87 HTR2A (0.61) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL13743172 0.81 HTR2C (0.56) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL16197697 0.80 HTR2A (0.51) HTR2AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL7888632 0.79 HTR2A (0.53) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL1104004 0.79 HTR2A (0.53) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL4052097 0.79 HTR2A (0.53) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL17809478 0.78 HTR2A (0.55) HTR2AHTR2CSIGMAR1
SCHEMBL4048826 0.78 HTR2A (0.62) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL21671855 0.78 HTR2A (0.46) HTR2AHTR2CKDM4EMAPTSIGMAR1
SCHEMBL21278135 0.76 HTR2A (0.73) HTR2AHTR2CSIGMAR1

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
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A HTR2A 780/4885HTR2C 826/4885KDM4E 1263/4885

“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.