SCHEMBL13050844

SCHEMBL13050844

CN(C)C[C@H]1C[C@@H](c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47

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
SCHEMBL13050824 1.00 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL13080882 0.89 SLC6A2 (0.41) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL13050851 0.87 HTR2A (0.52) HTR2AHTR2CHTR2BHRH3
SCHEMBL13050857 0.87 HTR2A (0.52) HTR2AHTR2CHTR2BHRH3
SCHEMBL13050932 0.87 HTR2A (0.52) HTR2AHTR2CHTR2BHRH3
SCHEMBL13050940 0.87 HTR2A (0.52) HTR2AHTR2CHTR2BHRH3
SCHEMBL13079924 0.85 SLC6A4 (0.41) HTR2AHTR2CHTR2BHRH3
SCHEMBL13079922 0.85 SLC6A4 (0.41) HTR2AHTR2CHTR2BHRH3
SCHEMBL13050877 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BHRH3
SCHEMBL13050872 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
WO-2009036275-A1 TREATMENT OF NEURODEGENERATIVE DISEASES USING INDATRALINE ANALOGS LINK MEDICINE CORPORATION (US) 2009-03-19 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-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs HTT, SNCA, PARK7 SIGMAR1 980/4885HTR2A 62/4885HTR2C 348/4885

“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.