SCHEMBL4601984

SCHEMBL4601984

COc1ccc([C@@H]2CN(c3ccc(=O)[nH]n3)C[C@H]2C(=O)N2CC[C@](OC)(c3ccccc3)[C@@H](OC)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
USP7 Q93009 4/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MC4R P32245 1/20 0.33
DGAT2 Q96PD7 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4941680 0.85 SMO (0.33) MC4RHRH3
SCHEMBL4612979 0.85 MC4R (0.44) ALDH1A1KMT2AMEN1USP7KDM4E
SCHEMBL4940333 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1USP7KDM4E
SCHEMBL4954098 0.84 MC4R (0.49) MC4R
SCHEMBL4954107 0.84 MC4R (0.49) MC4R
SCHEMBL4612691 0.84 TACR3 (0.38) ALDH1A1KMT2AMEN1HCRTR1HCRTR2
SCHEMBL4602361 0.77 MC4R (0.44) ALDH1A1KMT2AMEN1MC4RHTT
SCHEMBL4601335 0.72 MC4R (0.52) MC4R
SCHEMBL4794932 0.72 MC4R (0.32) MC4RHRH3TSHR
SCHEMBL4615174 0.71 MC4R (0.49) 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 3 patents. 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
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 WO 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.