SCHEMBL3251276

SCHEMBL3251276

Brc1ccccc1Cn1cc(CCN2CCCC2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.66
▸ CYP19A1 P11511 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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 0.88 HTR6 (0.52) HTR6CYP19A1ALDH1A1CYP3A4CYP2D6
SCHEMBL3248439 0.87 HTR6 (0.51) HTR6CYP19A1ALDH1A1CYP3A4CYP2D6
SCHEMBL28811759 0.80 HTR6 (0.59) HTR6CYP19A1ALDH1A1SMN1; SMN2HTT
SCHEMBL3257361 0.79 HTR6 (0.65) HTR6ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3253620 0.76 HTR6 (0.69) HTR6CYP19A1HDAC1HDAC8HDAC6
SCHEMBL3596183 0.73 HTR6 (0.69) HTR6CYP3A4CYP2D6
SCHEMBL8757616 0.73 HTR2A (0.55) HTR6ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3591828 0.72 HTR6 (0.67) HTR6CYP3A4CYP2D6
SCHEMBL6818375 0.72 ALDH1A1 (0.69) HTR6ALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL8757614 0.72 HTR2A (0.54) HTR6CNR2PLK1

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 6 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
EP-1537113-A1 ARYLALKYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Suven Pharmaceuticals Ltd. (IN) 2005-06-08 — — EP disclosed
WO-2004000845-A1 ARYLALKYL INDOLES HAVING SERTONIN 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-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 9/4885CYP19A1 1119/4885ALDH1A1 1729/4885

“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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