SCHEMBL5509593

SCHEMBL5509593

CN(C)C(=O)C1CC(Oc2cnc3ccccc3n2)CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 4/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8261911 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5509738 0.75 HTT (0.38) CHEK1CHEK2MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5516061 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5510597 0.72 UCHL1 (0.49) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL17123792 0.72 HTT (0.49) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5516066 0.71 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL14861677 0.70 HTT (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5516149 0.68 HTT (0.45) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8469538 0.68 PIM1 (0.38) CHEK1CHEK2HRH3PIM1PIM2
SCHEMBL5996420 0.68 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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
EP-1838702-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Pfizer Products Inc. (US) 2007-10-03 EP disclosed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 US disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 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-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PDE12, PDE4A, PDE7A CHEK1 2501/4885CHEK2 1865/4885MEN1 4333/4885

“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.