SCHEMBL5509738

SCHEMBL5509738

CC(C)(O)C1CC(Oc2cnc3ccccc3n2)CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34

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 0.79 MEN1 (0.43) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL5509593 0.75 CHEK1 (0.41) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL17123792 0.74 HTT (0.49) HTTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL14861677 0.73 HTT (0.47) HTTALDH1A1MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL5516061 0.73 MEN1 (0.43) HTTALDH1A1MEN1KMT2AHPGD
SCHEMBL5516066 0.71 ALDH1A1 (0.41) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5516149 0.71 HTT (0.45) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL2722697 0.70 CHRNB2 (0.48) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL2723948 0.70 CHRNB2 (0.48) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL5507861 0.69 NR1H2 (0.39) HTTALDH1A1MEN1KMT2APDE3B

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 4 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
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 HTT 579/4885ALDH1A1 896/4885MEN1 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.