SCHEMBL20148931

SCHEMBL20148931

CCC(NCc1ccccc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASR P41180 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV3 Q8NET8 1/20 0.40
IDO1 P14902 2/20 0.40
THRB P10828 1/20 0.40
TACR1 P25103 1/20 0.40
TRPA1 O75762 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL11133532 0.98 SIGMAR1 (0.53) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL31049620 0.85 SIGMAR1 (0.52) SIGMAR1POLBMAPTSMN1; SMN2MEN1
SCHEMBL15818086 0.85 SIGMAR1 (0.52) SIGMAR1POLBMAPTSMN1; SMN2MEN1
SCHEMBL172382 0.83 SIGMAR1 (0.50) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL1515577 0.82 SIGMAR1 (0.53) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL11972180 0.82 TRPV3 (0.56) SIGMAR1POLBMAPTMEN1KMT2A
SCHEMBL11971879 0.82 SIGMAR1 (0.53) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL22574694 0.82 TRPV3 (0.56) SIGMAR1POLBMAPTMEN1KMT2A
SCHEMBL11972186 0.82 TRPV3 (0.56) SIGMAR1POLBMAPTMEN1KMT2A
SCHEMBL20148924 0.82 SIGMAR1 (0.53) SIGMAR1POLBKDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905711-B2 Methods and compositions for selectively removing potassium ion from the gastrointestinal tract of a mammal VIFOR (INTERNATIONAL) LTD. (CH) 2021-02-02 US disclosed
US-20180133244-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL VIFOR (INTERNATIONAL) LTD. (CH) 2018-05-17 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 (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-10905711-B2 Methods and compositions for selectively removing potassium ion from the gastrointestinal tract of a mammal KCNN3, KCNH3, KCNH2 SIGMAR1 3498/4885POLB 3987/4885KDM4E 1404/4885
US-20180133244-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL KCNN3, KCNH3, KCNH2 SIGMAR1 3498/4885POLB 3987/4885KDM4E 1404/4885

“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.