SCHEMBL3257361

SCHEMBL3257361

CN1CCN(CCc2cn(Cc3ccccc3Br)c3ccc(Br)cc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.65
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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 0.91 HTR6 (0.52) HTR6ALDH1A1HTTNCOA1NCOA3
SCHEMBL3248439 0.90 HTR6 (0.51) HTR6ALDH1A1HTTNCOA1NCOA3
SCHEMBL3264614 0.79 HTR6 (0.54) HTR6HDAC1HDAC8HDAC6HTR7
SCHEMBL3251276 0.79 HTR6 (0.66) HTR6HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL18134785 0.78 HTR6 (0.72) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
SCHEMBL3252401 0.77 HTR6 (0.44) HTR6CYP2D6CYP2C19
SCHEMBL5230841 0.77 HTR6 (1.00) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
SCHEMBL3256699 0.76 HTR6 (0.43) HTR6HDAC1HDAC8HDAC6HTR2A
SCHEMBL28751628 0.76 HTR6 (0.42) HTR6ALDH1A1
SCHEMBL4553448 0.74 HTR6 (0.42) HTR6ALDH1A1L3MBTL1

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 9/4885HDAC1 3609/4885HDAC8 3367/4885

“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.

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