SCHEMBL3335903

SCHEMBL3335903

CC(C)C(=O)Nc1cccc(C2CCN(CCCOS(C)(=O)=O)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.63
ADRA1A P35348 1/20 0.55
MCHR1 Q99705 1/20 0.55

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
SCHEMBL3337163 0.89 DRD2 (0.61) DRD2MCHR1
SCHEMBL3334127 0.85 DRD2 (0.71) DRD2ADRA1AMCHR1
SCHEMBL3340508 0.84 DRD2 (0.65) DRD2ADRA1AMCHR1
SCHEMBL5658798 0.84 DRD2 (0.69) DRD2ADRA1AMCHR1
SCHEMBL4772444 0.84 DRD2 (0.69) DRD2ADRA1AMCHR1
SCHEMBL5661275 0.83 DRD2 (0.61) DRD2ADRA1A
SCHEMBL5657693 0.83 DRD2 (0.62) DRD2ADRA1AMCHR1
SCHEMBL5659500 0.83 DRD2 (0.69) DRD2ADRA1AMCHR1
SCHEMBL5662177 0.83 DRD2 (0.74) DRD2ADRA1AMCHR1
SCHEMBL3337822 0.83 DRD2 (0.58) DRD2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 DRD2 196/4885ADRA1A 342/4885MCHR1 2/4885

“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.