SCHEMBL3827632

SCHEMBL3827632

CN1CCC(OC[C@@H]2CCCN2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNA5 P30532 1/20 0.36
LTA4H P09960 1/20 0.35
HRH3 Q9Y5N1 1/20 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
SCHEMBL7908480 0.80 CYP2D6 (0.41) CHRNB4CHRNA3LTA4H
SCHEMBL7908483 0.80 CYP2D6 (0.41) CHRNB4CHRNA3LTA4H
Hydrochloric Acid SCHEMBL7989937 0.78 CYP2D6 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL7989933 0.78 CYP2D6 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL14303748 0.73 NCF1 (0.42) CHRNB4CHRNA3HRH3
SCHEMBL25123168 0.71 NCF1 (0.48) HRH3
SCHEMBL12886704 0.71 NCF1 (0.43) HRH3
SCHEMBL24995091 0.69 NCF1 (0.38) HRH3
SCHEMBL10508008 0.69 HTR1A (0.44)
SCHEMBL24491426 0.69 HTR1A (0.44)

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
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 CHRNB4 4683/4885CHRNA3 4603/4885CHRNB2 4675/4885

“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.