SCHEMBL793276

SCHEMBL793276

NCCCN1CCN(c2noc3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.60
DRD4 P21917 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
HTR7 P34969 8/20 0.56
HTR2A P28223 5/20 0.56
HTR1A P08908 3/20 0.56
HTR6 P50406 3/20 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
SCHEMBL793052 0.96 DRD2 (0.62) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL21678217 0.83 DRD2 (0.57) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL2734080 0.82 DRD2 (0.68) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL15064163 0.80 HTR1A (0.59) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL15064324 0.80 HTR1A (0.61) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL27919793 0.79 DRD2 (0.56) DRD2DRD4SIGMAR1HTR7HTR2A
Hydrochloric Acid SCHEMBL9378281 0.79 HTR1A (0.60) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL2734416 0.79 DRD2 (0.64) DRD2DRD4SIGMAR1HTR7HTR2A
SCHEMBL14046594 0.78 SORD (0.54) DRD2HTR7HTR2AHTR1A
SCHEMBL23595706 0.78 HTR2A (0.55) DRD2DRD4SIGMAR1HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 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 (2 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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885DRD4 3761/4885SIGMAR1 1463/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885DRD4 3761/4885SIGMAR1 1463/4885

“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.