SCHEMBL15437385

SCHEMBL15437385

COC(=O)C1(CC#N)CCN(C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.34
JAK1 P23458 5/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 2/20 0.32
KCNA3 P22001 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGDR Q13258 1/20 0.32
KDM1A O60341 3/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25281621 0.83 CYP4F2 (0.44) CYP4F2CYP4A11
SCHEMBL20335677 0.81 JAK2 (0.39) JAK2JAK1CYP4F2CYP4A11ALDH1A1
SCHEMBL15437243 0.81 PKM (0.46) JAK2JAK1
SCHEMBL4777237 0.80 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1CYP3A4MAPK1
SCHEMBL6626687 0.80 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2C19
SCHEMBL21772022 0.80 CYP4F2 (0.46) CYP4F2CYP4A11
SCHEMBL17009549 0.79 CYP2D6 (0.36) CYP4F2CYP4A11ALDH1A1CYP3A4MAPK1
SCHEMBL1750858 0.78 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2C19
SCHEMBL31465708 0.78 JAK2 (0.43) JAK2JAK1ALDH1A1CYP3A4MAPK1
SCHEMBL4763096 0.78 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1KCNH2CYP2D6

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
WO-2015123437-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2015-08-20 WO disclosed
US-8952166-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 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 (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-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 JAK2 1245/4885JAK1 1075/4885CYP4F2 2723/4885

“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.