SCHEMBL3426523

SCHEMBL3426523

COc1ccc2c(c1)-c1c(CN3CCN(C)CC3)c3cc(Br)ccc3n1S2(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.47
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTT P42858 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
SCHEMBL3426573 0.93 HTR6 (0.53) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
SCHEMBL3425156 0.87 KDM4E (0.42) HTR6KDM4EALDH1A1MAPTHTR7
SCHEMBL3426339 0.87 HTR6 (0.49) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
Hydrochloric Acid SCHEMBL3427636 0.86 HTR6 (0.48) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
SCHEMBL3426667 0.85 HTR6 (0.65) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
SCHEMBL3427576 0.85 HTR6 (0.46) HTR6KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3426369 0.84 HTR6 (0.64) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
Hydrochloric Acid SCHEMBL3427171 0.84 HTR6 (0.45) HTR6KDM4EALDH1A1MAPT
SCHEMBL3426990 0.83 HTR6 (0.52) HTR6CYP3A4CYP2D6CYP2C19ADRA2A
SCHEMBL3426892 0.80 HTR6 (0.38) HTR6CYP2C19SLC6A2SLC6A4SLC6A3

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 9/4885CYP3A4 302/4885CYP2D6 390/4885

“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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