SCHEMBL6810041

SCHEMBL6810041

COc1ncc(C)cc1Nc1cc2c3c(c1)[C@@H]1CN(C(=O)O)CC[C@@H]1N3CCOC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.35
PIK3CD O00329 11/20 0.34
PIK3R1 P27986 8/20 0.34
PIK3CA P42336 8/20 0.34
PIK3CB P42338 8/20 0.34
PIK3CG P48736 8/20 0.34
LRRK2 Q5S007 5/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
CRHR1 P34998 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL6503483 0.92 RAF1 (0.31) TYK2
SCHEMBL6491690 0.83 HTR2C (0.36) TYK2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6503481 0.82 CCR3 (0.31) PIK3CDPIK3CALRRK2MALT1
SCHEMBL6490568 0.78 CCR3 (0.32)
SCHEMBL6504219 0.77 PIK3CA (0.36) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6810852 0.76 HTR2C (0.32)
SCHEMBL6810658 0.75 TYK2 (0.35) TYK2
SCHEMBL6502965 0.73 HTR2A (0.36)
SCHEMBL6490580 0.73 DRD2 (0.34)
SCHEMBL6810428 0.73 DRD2 (0.34)

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 TYK2 1181/4885PIK3CD 2117/4885PIK3R1 2864/4885

“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.