SCHEMBL3248439

SCHEMBL3248439

Brc1ccc2c(c1)c(CCN1CCCCC1)cn2Cc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.51
CACNB4 O00305 5/20 0.45
CACNA1A O00555 5/20 0.45
CACNA1G O43497 5/20 0.45
CACNG3 O60359 5/20 0.45
CACNA1F O60840 5/20 0.45
CACNA1H O95180 5/20 0.45
CACNB3 P54284 5/20 0.45
CACNA2D1 P54289 5/20 0.45
CACNG7 P62955 5/20 0.45
CACNA1B Q00975 5/20 0.45
CACNA1D Q01668 5/20 0.45
CACNB1 Q02641 5/20 0.45
CACNG1 Q06432 5/20 0.45
CACNB2 Q08289 5/20 0.45
CACNA1S Q13698 5/20 0.45
CACNA1C Q13936 5/20 0.45
CACNA1E Q15878 5/20 0.45
CACNA2D4 Q7Z3S7 5/20 0.45
CACNA2D3 Q8IZS8 5/20 0.45

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
SCHEMBL4431649 0.99 HTR6 (0.52) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3257361 0.90 HTR6 (0.65) HTR6ALDH1A1L3MBTL1HTTNCOA1
SCHEMBL3251276 0.87 HTR6 (0.66) HTR6ALDH1A1TSHRRECQLL3MBTL1
SCHEMBL4553448 0.82 HTR6 (0.42) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3255751 0.81 HTR6 (0.43) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3256687 0.80 HTR6 (0.44) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3264614 0.78 HTR6 (0.54) HTR6CYP19A1
SCHEMBL3252401 0.76 HTR6 (0.44) HTR6TSHRCYP19A1CYP2D6CYP2C19
SCHEMBL19396331 0.76 HTR6 (0.57) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5233760 0.75 HTR6 (0.85) HTR6CYP3A4CYP2D6CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537113-B9 ARYLALKYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2010-05-26 EP disclosed
EP-1537113-B1 ARYLALKYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2009-10-07 EP disclosed
US-7297711-B2 Arylalkyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LIMITED (IN) 2007-11-20 US disclosed
US-20050203103-A1 Arylalkyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LIMITED (IN) 2005-09-15 US disclosed
CN-1662538-A Arylalkyl indoles having sertonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN PHARMACEUTICALS LTD (IN) 2005-08-31 CN 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-20050203103-A1 Arylalkyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them TPH1, HTR1A, HTR7 HTR6 9/4885CACNB4 2444/4885CACNA1A 1821/4885

“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.