SCHEMBL10195090

SCHEMBL10195090

CC(C#N)(CC(O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 5/20 0.39
GAA P10253 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL10195095 0.81 RIPK1 (0.44) RIPK1LMNACYP3A4CYP2D6CYP2C19
SCHEMBL10229449 0.80 CYP2D6 (0.37) RIPK1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL2391721 0.77 RIPK1 (0.53) RIPK1LMNACYP3A4CYP2D6CYP2C19
SCHEMBL13435156 0.75 CYP2D6 (0.38) CYP3A4CYP2D6CYP2C19ESR1ESR2
SCHEMBL7886997 0.74 ESR1 (0.46) CYP3A4CYP2D6CYP2C19ESR1ESR2
SCHEMBL12435669 0.74 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5163930 0.74 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL13003036 0.74 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL10208929 0.73 CYP2D6 (0.41) RIPK1LMNACYP3A4CYP2D6CYP2C19
SCHEMBL24302110 0.72 CYP2D6 (0.43) LMNACYP3A4CYP2D6CYP2C19ESR1

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-8173642-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2012-05-08 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 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 (4 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-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP RIPK1 3236/4885LMNA 3251/4885TSHR 1912/4885
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 RIPK1 4431/4885LMNA 1970/4885TSHR 1431/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP RIPK1 3236/4885LMNA 3251/4885TSHR 1912/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP RIPK1 3236/4885LMNA 3251/4885TSHR 1912/4885

“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.