SCHEMBL14740552

SCHEMBL14740552

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HPGDS O60760 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
PRCP P42785 2/20 0.44
TRPV3 Q8NET8 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
USP30 Q70CQ3 2/20 0.43
KDM5B Q9UGL1 1/20 0.43
POLB P06746 1/20 0.43
PRMT5 O14744 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL14736726 0.84 MKNK1 (0.55) HTTMKNK1MKNK2PRCPDRD2
SCHEMBL19385288 0.79 HTT (0.62) HTTMEN1KMT2AHPGDSUSP30
SCHEMBL19385066 0.78 HTT (0.61) HTTMEN1KMT2AHPGDSUSP30
SCHEMBL12185548 0.78 HTT (0.79) HTTMEN1KMT2ADRD2DRD4
SCHEMBL1653301 0.78 HTT (0.79) HTTMEN1KMT2AHPGDSDRD2
SCHEMBL22810473 0.78 PDE4B (0.52) MEN1KMT2AHPGDSHDAC1HDAC2
SCHEMBL6913568 0.78 TRPV1 (0.52) HTTTRPV3USP30POLB
SCHEMBL19385174 0.76 HTT (0.58) HTTMEN1KMT2AHPGDSUSP30
SCHEMBL19385117 0.76 USP30 (0.60) HTTMEN1KMT2AHPGDSDRD2
SCHEMBL14736412 0.76 PRCP (0.53) HPGDSHDAC1HDAC2PRCPTRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP HTT 4174/4885MEN1 3238/4885KMT2A 2172/4885

“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.