SCHEMBL4940333

SCHEMBL4940333

COc1ccc([C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C(=O)N2CC[C@](OC)(c3ccccc3)[C@@H](OC)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CHRM4 P08173 1/20 0.37
TACR3 P29371 6/20 0.36
PANK3 Q9H999 6/20 0.35
HTT P42858 2/20 0.34
USP7 Q93009 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MC4R P32245 1/20 0.33

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
SCHEMBL4612691 0.89 TACR3 (0.38) ALDH1A1KMT2AMEN1CHRM4TACR3
SCHEMBL4612979 0.87 MC4R (0.44) ALDH1A1KMT2AMEN1USP7KDM4E
SCHEMBL4634019 0.85 MC4R (0.50) MC4R
SCHEMBL4601984 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1HTTUSP7
SCHEMBL4615760 0.80 CHRM4 (0.36) CHRM4PANK3
SCHEMBL4615763 0.80 CHRM4 (0.36) CHRM4PANK3
SCHEMBL4602361 0.79 MC4R (0.44) ALDH1A1KMT2AMEN1HTTMC4R
SCHEMBL4601335 0.76 MC4R (0.52) MC4R
SCHEMBL4932674 0.74 MC4R (0.52) MC4R
SCHEMBL4603038 0.73 MC4R (0.51) MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR ALDH1A1 590/4885KMT2A 3354/4885MEN1 1846/4885

“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.