SCHEMBL6810053

SCHEMBL6810053

COc1ncc(C)cc1-c1cc2c3c(c1)[C@@H]1CN(C(=O)O)CC[C@@H]1N3C(N)COC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL6503489 0.92
SCHEMBL6503484 0.82 RET (0.33)
SCHEMBL6490962 0.78 KDM1A (0.32)
SCHEMBL6504221 0.77 HCRTR1 (0.33)
SCHEMBL6492039 0.72 HTR2A (0.35)
SCHEMBL6810041 0.71 TYK2 (0.35) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL6503483 0.66 RAF1 (0.31)
SCHEMBL5410492 0.62 HTR2C (0.46)
SCHEMBL5412958 0.61 HTR2A (0.47)
SCHEMBL5412965 0.61 HTR2A (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 PIK3CD 2117/4885PIK3R1 2864/4885PIK3CA 2492/4885

“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.