SCHEMBL15569825

SCHEMBL15569825

C1CNNCCN1.NCCNCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.53
▸ CA6 P23280 5/20 0.53
▸ CA7 P43166 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ CA14 Q9ULX7 5/20 0.53
▸ CA5B Q9Y2D0 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CA2 P00918 4/20 0.50
▸ CA4 P22748 4/20 0.50
▸ CA5A P35218 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ CA3 P07451 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ CA1 P00915 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48

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
Piperazine SCHEMBL11591607 0.92 CA12 (0.62) CA12CA6CA7CA9CA14
Piperazine SCHEMBL9063706 0.89 CA12 (0.65) CA12CA6CA7CA9CA14
Spermine SCHEMBL5375346 0.81 CA12 (0.72) CA12CA6CA7CA9CA14
Piperazine SCHEMBL27503247 0.80 CA12 (0.52) CA12CA6CA7CA9CA14
Piperazine SCHEMBL28008800 0.80 CA12 (0.52) CA12CA6CA7CA9CA14
Piperazine SCHEMBL27776384 0.79 CYP2C19 (0.46) CA12CA6CA7CA9CA14
Piperidine SCHEMBL5669654 0.79 CA12 (0.53) CA12CA6CA7CA9CA14
Piperazine SCHEMBL28471875 0.77 CYP2C19 (0.43) CA12CA6CA7CA9CA14
SCHEMBL15381 0.72 — —
SCHEMBL5314937 0.72 CA12 (1.00) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385024-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2019-08-20 — — US disclosed
EP-2887963-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2017-07-19 — — EP disclosed
US-20150299131-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-10-22 — — US disclosed
EP-2887963-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2015-07-01 — — EP disclosed
WO-2014029984-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-02-27 — — 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-20150299131-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 CA12 2856/4885CA6 2289/4885CA7 3121/4885
US-10385024-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP2 CA12 2856/4885CA6 2289/4885CA7 3121/4885

“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.

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