SCHEMBL6503483

SCHEMBL6503483

CCOc1ncc(C)cc1Nc1cc2c3c(c1)[C@@H]1CN(C(=O)O)CC[C@@H]1N3CCOC2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.31
BRAF P15056 3/20 0.31
TYK2 P29597 3/20 0.31
MAPT P10636 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL6810041 0.92 TYK2 (0.35) TYK2
SCHEMBL6810852 0.84 HTR2C (0.32)
SCHEMBL6503481 0.78 CCR3 (0.31)
SCHEMBL6490568 0.76 CCR3 (0.32)
SCHEMBL6504219 0.75 PIK3CA (0.36) HCRTR1HCRTR2
SCHEMBL6502965 0.75 HTR2A (0.36)
SCHEMBL6493947 0.74 HTR2A (0.36) RAF1BRAF
SCHEMBL6503489 0.72
SCHEMBL6490580 0.72 DRD2 (0.34)
SCHEMBL6494306 0.72 HTR2A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
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 RAF1 1343/4885BRAF 2432/4885TYK2 1181/4885

“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.