SCHEMBL3344245

SCHEMBL3344245

N[C@@H](CCN1CCOCC1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL4067636 0.85 ACHE (0.57) ACHELMNAKMT2A
SCHEMBL4244929 0.84 TSHR (0.48) ACHEKDM4ELMNAKMT2ASLC6A3
SCHEMBL23112909 0.84 KDM4E (0.67) ACHEKDM4EATMLMNAKMT2A
SCHEMBL2608042 0.84 ACHE (0.54) ACHEATMKMT2A
SCHEMBL3337410 0.84 KDM4E (0.67) ACHEKDM4EATMLMNAKMT2A
SCHEMBL18799364 0.84 ACHE (0.54) ACHEATMKMT2A
SCHEMBL3337898 0.84 KDM4E (0.67) ACHEKDM4EATMLMNAKMT2A
Hydrochloric Acid SCHEMBL28546909 0.83 KDM4E (0.65) ACHEKDM4EATMLMNAKMT2A
SCHEMBL4246710 0.82 NPC1 (0.52) ACHECD274
SCHEMBL11487957 0.78 ACHE (0.57) ACHEKDM4ECD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 ACHE 4854/4885KDM4E 2939/4885ATM 885/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK ACHE 4849/4885KDM4E 2304/4885ATM 657/4885

“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.