SCHEMBL4788635

SCHEMBL4788635

COCC1CC(NC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
ATM Q13315 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21079841 1.00 NPSR1 (0.36) NPSR1EPHX2ALDH1A1TSHRPRKACA
SCHEMBL4224400 0.84 PRKACA (0.42) NPSR1EPHX2PRKACAPRKACGPRKACB
SCHEMBL481897 0.84 PRKACA (0.42) NPSR1EPHX2PRKACAPRKACGPRKACB
SCHEMBL481898 0.84 PRKACA (0.42) NPSR1EPHX2PRKACAPRKACGPRKACB
SCHEMBL24159077 0.83 ATM (0.47) NPSR1ALDH1A1ATM
SCHEMBL24159106 0.83 ATM (0.47) NPSR1ALDH1A1ATM
SCHEMBL27791323 0.83 ATM (0.47) NPSR1ALDH1A1ATM
SCHEMBL481725 0.82 PRKACA (0.41) NPSR1EPHX2PRKACAPRKACGPRKACB
SCHEMBL481724 0.81 PRKACA (0.41) NPSR1EPHX2PRKACAPRKACGPRKACB
SCHEMBL14631213 0.80 ALDH1A1 (0.33) EPHX2ALDH1A1ATM

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-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 US disclosed
WO-2008119720-A1 1-(1-CYCLOBUTYL-4-PIPERIDINYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 NPSR1 666/4885EPHX2 2588/4885ALDH1A1 417/4885

“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.