SCHEMBL16128015

SCHEMBL16128015

CCOC(=O)C1CCCN(c2ccc(C#N)cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 7/20 0.52
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 5/20 0.51
TSHR P16473 2/20 0.51
CASP1 P29466 1/20 0.51
MMP13 P45452 1/20 0.51
CASP7 P55210 1/20 0.51
USP30 Q70CQ3 1/20 0.49
SHMT2 P34897 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL3857665 0.87 USP30 (0.60) ALDH1A1KDM4EMAPTTSHRCASP1
SCHEMBL10174321 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTNPSR1SHMT2
SCHEMBL16128016 0.82 SHMT2 (0.52) ALDH1A1KDM4EMAPTNPSR1SHMT2
SCHEMBL2225455 0.81 PDK1 (0.54) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15054894 0.80 DPP4 (0.45) USP30
SCHEMBL12683464 0.77 GPR119 (0.46) ALDH1A1KDM4E
SCHEMBL27157317 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTNPSR1TSHR
SCHEMBL2226561 0.76 NOTUM (0.56)
SCHEMBL16880264 0.76 SHMT2 (0.57) ALDH1A1KDM4EMAPTSHMT2SMN1; SMN2
SCHEMBL16718874 0.76 GRM4 (0.48) MEN1KMT2A

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-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
WO-2014152536-A2 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2014-09-25 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-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R ALDH1A1 490/4885KDM4E 1707/4885MAPT 4534/4885

“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.