SCHEMBL17859341

SCHEMBL17859341

CC(=O)c1ccccc1OCC(F)F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ABCB1 P08183 9/20 0.58
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL16836611 0.84 ALDH1A1 (0.59) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL3339926 0.84 ABCB1 (0.64) LMNASMN1; SMN2ALDH1A1KDM4EABCB1
SCHEMBL16836610 0.83 SLC6A3 (0.51) LMNASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL19604252 0.83 ABCB1 (0.60) ALDH1A1KDM4EABCB1KMT2APOLB
SCHEMBL19564484 0.83 ABCB1 (0.46) LMNASMN1; SMN2ALDH1A1KDM4EABCB1
SCHEMBL28229749 0.83 HTT (0.58) LMNAKDM4EMAPTKMT2APOLB
SCHEMBL19599252 0.82 HCRTR2 (0.47) LMNASMN1; SMN2ALDH1A1KDM4EABCB1
SCHEMBL24159369 0.80 ABCB1 (0.43) LMNASMN1; SMN2ALDH1A1KDM4EABCB1
SCHEMBL11180904 0.79 ABCB1 (0.66) LMNASMN1; SMN2ALDH1A1KDM4EABCB1
SCHEMBL19604247 0.79 HCRTR2 (0.50) ALDH1A1L3MBTL1TSHRHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3932923-B1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR UNIV CENTRAL CHINA NORMAL (CN) 2023-05-03 EP disclosed
EP-3932923-A1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR Central China Normal University (CN) 2022-01-05 EP disclosed
WO-2020187291-A1 PYRAZOLOPYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREFOR 华中师范大学 2020-09-24 WO disclosed
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
WO-2016100157-A2 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (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-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R LMNA 3887/4885SMN1; SMN2 2618/4885ALDH1A1 2028/4885

“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.