SCHEMBL1398985

SCHEMBL1398985

COc1ccccc1S(=O)(=O)N1CCC1CN

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
GLA P06280 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
PAX8 Q06710 3/20 0.43
POLB P06746 2/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
CHRM4 P08173 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KCNQ1 P51787 1/20 0.39

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
SCHEMBL1398874 0.83 RORC (0.49) HTR1AHTR7KDM2BHTR6ALDH1A1
SCHEMBL1398983 0.77 SMN1; SMN2 (0.49) PKMPAX8POLBHCRTR1HCRTR2
SCHEMBL3059602 0.77 HTR7 (0.55) HTR1AHTR7HCRTR1HCRTR2KMT2A
SCHEMBL1398793 0.77 FEN1 (0.50) HCRTR1HCRTR2ALDH1A1KMT2AMCOLN3
SCHEMBL5702166 0.76 POLB (0.49) PKMPAX8POLBHCRTR1HCRTR2
SCHEMBL5701852 0.76 POLB (0.49) PKMPAX8POLBHCRTR1HCRTR2
SCHEMBL2770701 0.75 POLB (0.51) PKMPAX8POLBHCRTR1HCRTR2
SCHEMBL15917086 0.71 HTR6 (0.50) HTR1AHTR7HTR6ALDH1A1KMT2A
SCHEMBL29123158 0.70 ALDH1A1 (0.42) PKMHTR1AHTR7PAX8ALDH1A1
SCHEMBL31212427 0.69 MEN1 (0.59) PKMPOLBALDH1A1KMT2ASMN1; SMN2

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
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PKM 4399/4885HTR1A 58/4885HTR7 160/4885

“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.