SCHEMBL16987308

SCHEMBL16987308

CC(C)NC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.52
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
MLYCD O95822 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ERN1 O75460 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ALOX12 P18054 1/20 0.41
XDH P47989 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15631128 0.83 ERN1 (0.49) ANPEPMLYCDNPSR1HDAC1HDAC6
SCHEMBL4443226 0.83 MLYCD (0.53) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL13702129 0.82 MLYCD (0.55) CES2CES1MLYCDNPSR1ALDH1A1
SCHEMBL31079673 0.81 MLYCD (0.54) ANPEPCES2CES1MLYCDNPSR1
SCHEMBL13146304 0.81 MLYCD (0.54) ANPEPCES2CES1MLYCDNPSR1
SCHEMBL17732584 0.80 ERN1 (0.47) ANPEPMLYCDNPSR1HDAC1HDAC6
SCHEMBL23309675 0.78 MLYCD (0.47) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL3755988 0.78 HDAC1 (0.67) ANPEPMLYCDNPSR1HDAC1HDAC6
SCHEMBL20207014 0.78 KDM4E (0.55) MLYCDNPSR1ALDH1A1LMNAXDH
SCHEMBL7981473 0.77 CES2 (0.56) ANPEPCES2CES1HDAC1HDAC6

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
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2020-06-11 US disclosed
US-20170158633-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2017-06-08 US disclosed
US-9527835-B2 Cyclopropylamines as LSD1 inhibitors INCYTE CORPORATION (US) 2016-12-27 US disclosed
US-20150225375-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2015-08-13 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 (3 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-20150225375-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A ANPEP 3443/4885CES2 992/4885CES1 692/4885
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A ANPEP 3443/4885CES2 992/4885CES1 692/4885
US-20170158633-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A ANPEP 3443/4885CES2 992/4885CES1 692/4885

“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.