SCHEMBL13812922

SCHEMBL13812922

Sn1ncc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HRH3 Q9Y5N1 4/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.47
HRH1 P35367 3/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45

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
SCHEMBL13708115 0.86 TDP1 (0.52) TSHRHRH3HTR2AHTR7HTR6
SCHEMBL5753820 0.77 HTR6 (0.55) TSHRHRH3HTR2AHTR7HTR6
SCHEMBL5756326 0.76 HTR6 (0.46) TSHRHRH3HTR7HTR6DRD2
SCHEMBL4457700 0.76 TSHR (0.41) TSHRHRH3HTR2AHTR7HTR6
SCHEMBL4082426 0.75 HTR6 (0.46) TSHRHRH3HTR2AHTR7HTR6
SCHEMBL4084560 0.74 RAB9A (0.47) TSHRHRH3HTR2AHTR7HTR6
SCHEMBL14970486 0.74 HRH3 (0.81) TSHRHRH3HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL5791114 0.73 LTA4H (0.41) TSHRHRH3HTR2AHTR7HTR6
SCHEMBL4075300 0.73 HTR7 (0.45) TSHRHTR7HTR6DRD2
SCHEMBL4076472 0.73 ALDH1A1 (0.47) TSHRHRH3HTR6TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541358-B2 1-Substituted indoles, benzimidazoles additionally substituted with an amino ligand, e.g., 1-[(5-chlorothien-2-yl)sulfonyl]-5-[2-(piperidin-1-yl)ethoxy]-1H-indole; treating schizophrenia, depression, attention deficit disorder, Alzheimer's disease and Parkinson's disease WYETH (US) 2009-06-02 US disclosed
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands WYETH (US) 2008-01-31 US 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-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B TSHR 237/4885HRH3 135/4885HTR2A 14/4885

“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.