SCHEMBL3429607

SCHEMBL3429607

O=C(c1ccccc1)N1CCN(Cc2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 1.00
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2C P18825 1/20 0.55
HTR2A P28223 1/20 0.55
CYP2C19 P33261 1/20 0.55
TNFSF11 O14788 1/20 0.55
TNF P01375 1/20 0.55

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
SCHEMBL5553547 0.85 HTR6 (0.79) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL946875 0.83 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Hydrochloric Acid SCHEMBL946247 0.82 HTR6 (0.98) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL5558083 0.81 HTR6 (0.66) HTR6KDM4EALDH1A1LMNACYP3A4
SCHEMBL947602 0.77 HTR6 (0.70) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL947068 0.77 HTR6 (0.73) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL947647 0.77 HTR6 (0.74) HTR6CYP3A4CYP2D6
SCHEMBL5553741 0.74 HTR6 (0.77) HTR6
SCHEMBL28360220 0.74 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL5231993 0.74 HTR6 (0.82) HTR6CYP3A4CYP2D6ADRA2AADRA2C

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
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 9/4885KDM4E 3790/4885ALDH1A1 2045/4885

“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.