SCHEMBL4916628

SCHEMBL4916628

CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
RORC P51449 6/20 0.44
GPR119 Q8TDV5 1/20 0.44
TACR1 P25103 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
USP30 Q70CQ3 2/20 0.42
KDM1A O60341 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4921776 1.00 TSHR (0.46) TSHRALOX15ATMRORCGPR119
SCHEMBL655055 0.89 MEN1 (0.45) KDM1AKDM4E
SCHEMBL4916837 0.89 RORC (0.44) RORCGPR119JAK2JAK1
SCHEMBL4924425 0.89 RORC (0.44) RORCGPR119JAK2JAK1
SCHEMBL14028090 0.87 TACR1 (0.46) TSHRALOX15ATMRORCGPR119
SCHEMBL14028091 0.87 TSHR (0.47) TSHRALOX15ATMRORCGPR119
SCHEMBL4601641 0.85 NPSR1 (0.44) OPRD1OPRK1
SCHEMBL4601058 0.85 NPSR1 (0.44) OPRD1OPRK1
SCHEMBL4911230 0.85 TSHR (0.47) TSHRALOX15ATMRORCGPR119
SCHEMBL4922956 0.80 MC4R (0.55)

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-2007015157-A2 MC4R-AG0NISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION PFIZER LIMITED (GB) 2007-02-08 WO 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 (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 TSHR 1202/4885ALOX15 4629/4885ATM 2283/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 TSHR 347/4885ALOX15 970/4885ATM 3901/4885

“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.