SCHEMBL14359595

SCHEMBL14359595

NCC1CCN(CCOc2cccc3c2OCCO3)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.60
SLC6A4 P31645 7/20 0.56
MTNR1A P48039 4/20 0.46
HTR4 Q13639 1/20 0.42

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
SCHEMBL14359458 0.93 HTR1A (0.55) HTR1ASLC6A4MTNR1AHTR4
SCHEMBL15675906 0.89 HTR1A (0.58) HTR1ASLC6A4MTNR1A
SCHEMBL14359435 0.88 HTR1A (0.49) HTR1ASLC6A4MTNR1A
SCHEMBL15676381 0.84 HTR1A (0.54) HTR1ASLC6A4MTNR1A
SCHEMBL14358795 0.81 HTR1A (0.50) HTR1ASLC6A4MTNR1A
SCHEMBL14358954 0.78 HTR1A (0.61) HTR1A
SCHEMBL8114352 0.76 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL7481895 0.76 MTNR1A (0.58) HTR1ASLC6A4MTNR1A
Hydrochloric Acid SCHEMBL9091771 0.76 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL14359331 0.76 HTR1A (0.67) HTR1A

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-20140135310-A1 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2014-05-15 US disclosed
EP-2726476-A2 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES Adamed sp. z o.o. (PL) 2014-05-07 EP disclosed
WO-2013001505-A2 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 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-20140135310-A1 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES DDC, INA, SCN5A HTR1A 646/4885SLC6A4 137/4885MTNR1A 1058/4885

“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.