SCHEMBL3828313

SCHEMBL3828313

CN(C1CC1)[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
CHRM4 P08173 3/20 0.52
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
SIGMAR1 Q99720 3/20 0.49
DRD2 P14416 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
OPRM1 P35372 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CCR3 P51677 1/20 0.49
LTA4H P09960 1/20 0.48
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL28173289 0.92 ACHE (0.64) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL2202951 0.90 CHRM4 (0.50) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL2202954 0.90 CHRM4 (0.50) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL13024536 0.87 LTA4H (0.60) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL1911332 0.87 LTA4H (0.60) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL13634431 0.87 LTA4H (0.60) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL3311545 0.86 ACHE (0.60) ACHESIGMAR1DRD2HTR2AHTR2C
SCHEMBL6828935 0.85 SIGMAR1 (0.53) ACHECHRM4BCHEBACE1SIGMAR1
SCHEMBL3999982 0.84 MC4R (0.62) ACHESIGMAR1DRD2HTR2AHTR2C
SCHEMBL7498815 0.83 CHRM4 (0.55) ACHECHRM4BCHEBACE1SIGMAR1

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 ACHE 4015/4885CHRM4 4178/4885BCHE 4712/4885

“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.