SCHEMBL6783531

SCHEMBL6783531

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

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.79
HTR2B P41595 8/20 0.79
HTR2A P28223 5/20 0.79
EPHX2 P34913 1/20 0.34
ROCK2 O75116 1/20 0.32
MAP4K1 Q92918 1/20 0.32
EIF4E P06730 1/20 0.31
RBP4 P02753 1/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL6780922 0.91 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL6500966 0.91 HTR2A (0.65) HTR2CHTR2BHTR2A
SCHEMBL5408689 0.90 HTR2C (0.90) HTR2CHTR2BHTR2AEPHX2
SCHEMBL5426076 0.88 HTR2C (1.00) HTR2CHTR2BHTR2AEPHX2TLR8
SCHEMBL6490880 0.88 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL5413099 0.87 HTR2C (0.95) HTR2CHTR2BHTR2AEPHX2TLR8
SCHEMBL6492559 0.87 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL6490562 0.86 HTR2C (0.77) HTR2CHTR2BHTR2AEPHX2ROCK2
SCHEMBL6494037 0.86 HTR2C (0.77) HTR2CHTR2BHTR2AEPHX2ROCK2
SCHEMBL6494032 0.86 HTR2C (0.77) HTR2CHTR2BHTR2AEPHX2ROCK2

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 3 patents. 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
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.