SCHEMBL13050876

SCHEMBL13050876

CNC[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
HTR2C P28335 4/20 0.49
HTR2B P41595 4/20 0.49
HRH3 Q9Y5N1 4/20 0.49
SLC6A2 P23975 7/20 0.46
SLC6A4 P31645 7/20 0.46
SLC6A3 Q01959 7/20 0.46
CYP2C19 P33261 5/20 0.46
CYP2D6 P10635 4/20 0.46
CYP3A4 P08684 3/20 0.46
KCNH2 Q12809 2/20 0.46
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL13050879 1.00 HTR2A (0.49) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL13050853 0.84 SLC6A2 (0.46) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL13050856 0.84 SLC6A2 (0.46) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL13050838 0.84 HTR2C (0.54) HTR2CSLC6A4
SCHEMBL13050822 0.84 HTR2C (0.54) HTR2CSLC6A4
SCHEMBL13050908 0.83 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2C19CYP2D6
SCHEMBL13050909 0.83 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2C19CYP2D6
SCHEMBL13050957 0.83 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL13050960 0.83 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL13050872 0.81 HTR2A (0.55) HTR2AHTR2CHTR2BHRH3SLC6A2

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 HTR2A 62/4885HTR2C 348/4885HTR2B 199/4885

“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.