SCHEMBL3426312

SCHEMBL3426312

COc1ccc2c(c1)c(CN1CCCNCC1)c1n2S(=O)(=O)c2ccccc2-1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.59
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MTNR1A P48039 3/20 0.37
▸ MTNR1B P49286 3/20 0.37
▸ OXTR P30559 1/20 0.36
▸ AVPR1B P47901 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36

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
SCHEMBL3426588 0.96 HTR6 (0.63) HTR6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL3425143 0.87 HTR6 (0.61) HTR6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL3426667 0.86 HTR6 (0.65) HTR6CYP1A2CYP2C9CYP2C19HTT
Hydrochloric Acid SCHEMBL3426369 0.85 HTR6 (0.64) HTR6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL3426573 0.78 HTR6 (0.53) HTR6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL5553509 0.78 HTR6 (0.72) HTR6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL3426990 0.77 HTR6 (0.52) HTR6CYP2C19KDM4EALDH1A1
SCHEMBL3427289 0.77 HTR6 (0.52) HTR6KDM4EHSD17B10MEN1KMT2A
SCHEMBL3429678 0.75 HTR6 (0.48) HTR6CYP2C19KDM4EROCK1
SCHEMBL3428016 0.75 RAB9A (0.51) HTR6KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781476-B2 Serotonin and melatonergic ligands such as 10-(4-Methylpiperazin-1-ylmethyl)-5-thia-4b-aza-indeno[2,1-a]indene-5,5-dioxide, used for the treatment of psychological disorders, side effect reduction of antipsychotic drugs, neurodegenerative disorders, chemotherapy-induced vomiting and eating disorders SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-24 — — US claimed
US-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LIMITED (IN) 2007-06-21 — — US claimed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 — — EP claimed
EP-1581538-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY Suven Life Sciences Limited (IN) 2005-10-05 — — EP claimed
WO-2004055026-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LIMITED (IN) 2004-07-01 — — WO claimed
US-7781476-B2 Serotonin and melatonergic ligands such as 10-(4-Methylpiperazin-1-ylmethyl)-5-thia-4b-aza-indeno[2,1-a]indene-5,5-dioxide, used for the treatment of psychological disorders, side effect reduction of antipsychotic drugs, neurodegenerative disorders, chemotherapy-induced vomiting and eating disorders SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-24 — — US disclosed
US-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LIMITED (IN) 2007-06-21 — — US disclosed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 — — EP disclosed
EP-1581538-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY Suven Life Sciences Limited (IN) 2005-10-05 — — EP disclosed
WO-2004055026-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LIMITED (IN) 2004-07-01 — — 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-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity HTR3A, HTR3C, HTR3B HTR6 9/4885CYP1A2 551/4885CYP2C9 482/4885

“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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