SCHEMBL27006997

SCHEMBL27006997

O=C(O)N1CCN(CCOc2ccc3c(Cl)ccnc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.49
SMYD3 Q9H7B4 1/20 0.48
KCNA5 P22460 5/20 0.47
DRD3 P35462 6/20 0.45
DRD2 P14416 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL27006987 0.86 MEN1 (0.45) GRM4KDM4EALDH1A1POLBSMYD3
SCHEMBL30425861 0.86 SMYD3 (0.51) GRM4KDM4EALDH1A1POLBSMYD3
SCHEMBL25131312 0.85 KDM4E (0.56) GRM4KDM4EALDH1A1DRD3MEN1
SCHEMBL30499299 0.85 KDM4E (0.56) GRM4KDM4EALDH1A1DRD3MEN1
SCHEMBL27006787 0.84 ALDH1A1 (0.51) GRM4KDM4EALDH1A1SMYD3DRD3
SCHEMBL27006916 0.83 SMYD3 (0.45) GRM4ALDH1A1SMYD3
SCHEMBL30499279 0.81 KDM4E (0.64) GRM4KDM4EALDH1A1
SCHEMBL27006913 0.81 KDM4E (0.50) GRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL14495853 0.81 KDM4E (0.64) GRM4KDM4EALDH1A1
SCHEMBL30425758 0.81 LMNA (0.43) GRM4KDM4EALDH1A1POLBDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-18 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-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 GRM4 1956/4885KDM4E 474/4885ALDH1A1 742/4885

“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.