SCHEMBL5768071

SCHEMBL5768071

CN(C)CCc1cn(C(=O)c2ccccc2Br)c2c(Cl)cc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.43
HTR7 P34969 3/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
TAAR1 Q96RJ0 2/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5793653 0.87 HTR6 (0.42) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5768381 0.84 TAAR1 (0.40) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5768419 0.84 HTR6 (0.41) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5767786 0.84 HTR6 (0.41) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5767300 0.84 HTR6 (0.56) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5101401 0.84 HTR6 (0.39) HTR6MGLLALDH1A1
SCHEMBL6823917 0.83 HTR7 (0.43) HTR7ALDH1A1
SCHEMBL6195999 0.82 HTR6 (0.43) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5767647 0.81 HTR6 (0.46) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5768435 0.80 TAAR1 (0.45) HTR6HTR7HTR1AHTR1DHTR1B

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
EP-1517909-B1 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2006-10-25 EP disclosed
US-20050250834-A1 Novel tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2005-11-10 US disclosed
EP-1517909-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Suven Life Sciences Limited (IN) 2005-03-30 EP disclosed
WO-2004000205-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2003-12-31 WO 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-20050250834-A1 Novel tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical composition containing them TPH1, HTR1A, HTR5A HTR6 11/4885HTR7 4/4885HTR1A 2/4885

“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.