SCHEMBL6502817

SCHEMBL6502817

COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCSC3)c(CO)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.57
HTR2B P41595 8/20 0.57
HTR2A P28223 5/20 0.57
DYRK3 O43781 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK4 Q9NR20 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ROCK2 O75116 1/20 0.30
OPRK1 P41145 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
SCHEMBL5421890 0.88 HTR2C (0.73) HTR2CHTR2BHTR2ADYRK3CLK1
SCHEMBL6490880 0.88 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL5416869 0.87 HTR2C (0.69) HTR2CHTR2BHTR2ADYRK3CLK1
SCHEMBL6491276 0.86 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL6782816 0.86 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL6493494 0.86 HTR2C (0.56) HTR2CHTR2BHTR2AROCK2
SCHEMBL6783531 0.85 HTR2C (0.79) HTR2CHTR2BHTR2AROCK2
SCHEMBL6491240 0.85 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL5636294 0.84 HTR2C (0.58) HTR2CHTR2BHTR2ADYRK3CLK1
SCHEMBL5636267 0.81 HTR2C (0.55) HTR2CHTR2BHTR2ADYRK3CLK1

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 4 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
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (2 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2B 5/4885HTR2A 21/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2B 5/4885HTR2A 21/4885

“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.