SCHEMBL21755095

SCHEMBL21755095

CCC(C)c1cnc(N2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ACACB O00763 1/20 0.41
CNR2 P34972 1/20 0.40
HTT P42858 1/20 0.40
AOC3 Q16853 1/20 0.39
PIK3CA P42336 3/20 0.39
MTOR P42345 2/20 0.39
TSHR P16473 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19464641 0.85 POLB (0.49) POLBALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL22672703 0.85 ALDH1A1 (0.42) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7913329 0.83 POLB (0.53) POLBALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL11990189 0.82 HRH4 (0.50) ALDH1A1MAPK1KMT2AKDM4EMEN1
SCHEMBL14217497 0.80 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL22792340 0.80 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL18509351 0.80 POLB (0.50) POLBALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL14640723 0.77 ALDH1A1 (0.56) POLBALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL27514729 0.76 POLB (0.58) POLBALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL10272665 0.76 POLB (0.53) POLBALDH1A1MAPK1SMN1; SMN2KMT2A

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-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 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 (2 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-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 POLB 2944/4885ALDH1A1 1095/4885MAPK1 1944/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK POLB 2950/4885ALDH1A1 1593/4885MAPK1 893/4885

“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.