SCHEMBL5768435

SCHEMBL5768435

CCc1cccc2c(CCN(C)C)cn(C(=O)c3ccccc3Br)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ABCB1 P08183 1/20 0.43
HTR6 P50406 10/20 0.43
HTR7 P34969 6/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1F P30939 2/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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 0.88 HTR6 (0.42) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5769061 0.86 HTR6 (0.49) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5765447 0.85 HTR6 (0.40) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5093102 0.84 HTR6 (0.54) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5767683 0.83 HTR6 (0.42) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5767786 0.83 HTR6 (0.41) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5768419 0.83 HTR6 (0.41) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL6195999 0.81 HTR6 (0.43) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5767647 0.80 HTR6 (0.46) TAAR1HTR6HTR7HTR1AHTR1D
SCHEMBL5768071 0.80 HTR6 (0.43) TAAR1HTR6HTR7HTR1AHTR1D

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 TAAR1 42/4885ABCB1 424/4885HTR6 11/4885

“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.