Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048331

SCHEMBL4048331

SCHEMBL4048331

COc1ccc2c(c1)c(C=O)c1n2CCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.52
▸ HTR2C P28335 2/20 0.43
▸ MTNR1A P48039 6/20 0.43
▸ MTNR1B P49286 5/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6642682 0.96 HTR6 (0.57) HTR6HTR2CMTNR1AMTNR1BHTR2A
SCHEMBL6642384 0.95 HTR6 (0.56) HTR6HTR2CMTNR1AMTNR1BHTR2A
SCHEMBL6645297 0.82 HTR2A (0.45) HTR2CHTR2AKMT2AGAAMAPK1
SCHEMBL4053464 0.82 MTNR1A (0.55) HTR6MTNR1AMTNR1BPTGER4KDM4E
SCHEMBL4049847 0.81 HTR6 (0.40) HTR6MTNR1AMTNR1BPTGER4KMT2A
SCHEMBL6643619 0.80 HTR6 (0.44) HTR6HTR2CMTNR1AMTNR1BKMT2A
SCHEMBL6643618 0.80 HTR6 (0.44) HTR6HTR2CMTNR1AMTNR1BKMT2A
SCHEMBL6642401 0.79 MEN1 (0.58) HTR2CHTR2AKMT2AGAAALDH1A1
SCHEMBL6641493 0.79 HTR2A (0.45) HTR6HTR2CHTR2AKMT2AGAA
SCHEMBL6639026 0.79 HTR2C (0.45) HTR2CMTNR1AMTNR1BHTR2APTGER4

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 7 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
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
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
EP-1109813-B1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RES LTD (GB) 2004-08-11 — — EP disclosed
US-6433175-B1 ANTISEROTONINE AGENTS VERNALIS RESEARCH LIMITED (GB) 2002-08-13 — — 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 HTR6 1015/4885HTR2C 826/4885MTNR1A 2107/4885

“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.