SCHEMBL5847768

SCHEMBL5847768

Cc1cc(C#N)ccc1-c1cc2c3c(c1)C1CNCC[C@@H]1N3CCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.59
HTR2A P28223 4/20 0.59
HTR2B P41595 3/20 0.59
CYP11B2 P19099 6/20 0.38
CYP11B1 P15538 5/20 0.38
KDM1A O60341 1/20 0.33
FASN P49327 1/20 0.32
HSD11B1 P28845 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE4A P27815 2/20 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
SCHEMBL5410501 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL5410487 0.97 HTR2C (0.56) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL6499578 0.88 HTR2C (0.46) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL6500335 0.87 HTR2C (0.46) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL5419945 0.85 HTR2C (0.77) HTR2CHTR2AHTR2B
SCHEMBL5847626 0.85 HTR2C (0.77) HTR2CHTR2AHTR2B
SCHEMBL6756272 0.84 HTR2C (0.61) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL5417225 0.82 HTR2C (0.73) HTR2CHTR2AHTR2B
SCHEMBL6918350 0.82 HTR2A (0.41) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL5407323 0.82 HTR2A (0.41) HTR2CHTR2AHTR2BCYP11B2CYP11B1

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-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US claimed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US claimed

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-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2C 2/4885HTR2A 30/4885HTR2B 8/4885

“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.