SCHEMBL4924810

SCHEMBL4924810

CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.45
KMT2A Q03164 2/20 0.44
SLC6A3 Q01959 1/20 0.44
ALK Q9UM73 1/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC1 Q13547 3/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39

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
SCHEMBL4911230 0.88 TSHR (0.47) RORCKMT2AALKJAK2JAK1
SCHEMBL16434707 0.88 RORC (0.45) RORCKMT2ASLC6A3ALKHDAC2
SCHEMBL16434822 0.88 RORC (0.45) RORCKMT2ASLC6A3ALKHDAC2
SCHEMBL16423222 0.86 RORC (0.46) RORCKMT2ASLC6A3HDAC2HDAC1
SCHEMBL16422384 0.86 ALK (0.48) RORCKMT2ASLC6A3ALKHDAC2
SCHEMBL4919416 0.86 ALK (0.48) RORCKMT2ASLC6A3ALKHDAC2
SCHEMBL4926305 0.86 ALK (0.48) RORCKMT2ASLC6A3ALKHDAC2
SCHEMBL4916837 0.85 RORC (0.44) RORCKMT2AHDAC2HDAC1MEN1
SCHEMBL4924425 0.85 RORC (0.44) RORCKMT2AHDAC2HDAC1MEN1
SCHEMBL4666899 0.84 KMT2A (0.48) KMT2ASLC6A3

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 7 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
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 US disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2007015157-A2 MC4R-AG0NISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION 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 (2 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 RORC 501/4885KMT2A 3354/4885SLC6A3 1030/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 RORC 1766/4885KMT2A 3266/4885SLC6A3 773/4885

“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.