SCHEMBL19229869

SCHEMBL19229869

Cc1nc(C(C)(C)C)c(-c2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.58
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
COMT P21964 4/20 0.43
P2RY1 P47900 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NTRK1 P04629 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL10242388 0.84 ALOX5 (0.56) ALOX5PTGS1PTGS2COMTP2RY1
SCHEMBL13306881 0.81 P2RY1 (0.41) ALOX5PTGS2P2RY1MAPTALDH1A1
SCHEMBL12597757 0.80 RAB9A (0.39) ALOX5PTGS1PTGS2MAPTNPC1
SCHEMBL12597768 0.78 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL92933 0.76 ALOX5 (0.66) ALOX5PTGS1PTGS2COMTMAPT
SCHEMBL526264 0.75 PTGS2 (0.69) ALOX5PTGS1PTGS2COMTMAPT
SCHEMBL11964993 0.73 ALOX5 (0.61) ALOX5PTGS1PTGS2COMTMAPT
SCHEMBL2091332 0.73 ALOX5 (0.61) ALOX5PTGS1PTGS2COMTMAPT
SCHEMBL9629574 0.73 ALOX5 (1.00) ALOX5PTGS1PTGS2COMTMAPT
SCHEMBL18373459 0.73 ALOX5 (0.61) ALOX5PTGS1PTGS2COMTMAPT

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-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 US disclosed
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 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 (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-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST HCRTR1, HCRTR2, OPRD1 ALOX5 2759/4885PTGS1 2250/4885PTGS2 2772/4885

“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.