SCHEMBL3830282

SCHEMBL3830282

CNC[C@H](C)N(C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.37
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.33
ACACB O00763 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
ANPEP P15144 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1829813 1.00 KISS1R (0.37) KISS1RCHRNB2CHRNA4CHRNB4ACACB
SCHEMBL19742787 0.82 CYP2D6 (0.34) KISS1RCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1830903 0.78 KISS1R (0.39) KISS1RCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1835719 0.78 ACACB (0.38) KISS1RCHRNB2CHRNA4CHRNB4ACACB
SCHEMBL26357789 0.78 ALDH1A1 (0.37) KISS1RCHRNB2CHRNA4CHRNB4
SCHEMBL26047104 0.78 ALDH1A1 (0.37) KISS1RCHRNB2CHRNA4CHRNB4
SCHEMBL23914122 0.77
SCHEMBL1832757 0.75 KISS1R (0.37) KISS1RCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23157094 0.74 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4ACACBCHRNA3
SCHEMBL14222481 0.74 KISS1R (0.32) KISS1R

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 5 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
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 KISS1R 4172/4885CHRNB2 4675/4885CHRNA4 4581/4885

“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.