SCHEMBL21784381

SCHEMBL21784381

O=C(N1CCC(NC2CC2)CC1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
EPHX1 P07099 6/20 0.54
EPHX2 P34913 7/20 0.51
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.38
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL3581538 0.83 EPHX1 (0.50) KDM1AEPHX1EPHX2CYP2C19PARP1
SCHEMBL11942148 0.82 EPHX1 (0.53) KDM1AEPHX1EPHX2CYP2C19PARP1
SCHEMBL4131627 0.81 EPHX1 (0.59) KDM1AEPHX1EPHX2CYP2C19PARP1
SCHEMBL23490137 0.79 EPHX1 (0.57) KDM1AEPHX1EPHX2CYP2C19PARP1
SCHEMBL3581534 0.79 EPHX1 (0.50) KDM1AEPHX1EPHX2CYP2C19PARP1
Trifluoroacetic Acid SCHEMBL4513278 0.78 EPHX1 (0.49) KDM1AEPHX1EPHX2CYP2C19PARP1
SCHEMBL5758149 0.77 EPHX1 (0.46) KDM1AEPHX1EPHX2RIPK1
SCHEMBL13162268 0.76 EPHX1 (0.47) KDM1AEPHX1EPHX2CYP2C19ALDH1A1
SCHEMBL13638962 0.76 EPHX1 (0.47) KDM1AEPHX1EPHX2CYP2C19ALDH1A1
SCHEMBL4131266 0.75 EPHX1 (0.45) KDM1AEPHX1EPHX2CYP2C19PARP1

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-20210300891-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME INCYTE CORPORATION 2021-09-30 US disclosed
WO-2020047198-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME INCYTE CORPORATION (US) 2020-03-05 WO disclosed
US-20200071289-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME WILMINGTON PHARMATECH 2020-03-05 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-20200071289-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME KDM1A, KDM1B, KDM2A KDM1A 1/4885EPHX1 1897/4885EPHX2 2868/4885
US-20210300891-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME KDM1A, KDM1B, KDM2A KDM1A 1/4885EPHX1 1897/4885EPHX2 2868/4885

“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.