SCHEMBL16825852

SCHEMBL16825852

CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(Br)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.63
FPR3 P25089 3/20 0.60
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GPR183 P32249 1/20 0.56
GLS O94925 2/20 0.55
CETP P11597 1/20 0.54
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
GPR119 Q8TDV5 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NAMPT P43490 1/20 0.50

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
SCHEMBL13930870 0.91 GPR119 (0.58) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL13930863 0.89 PTPN2 (0.57) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL13930867 0.89 PTPN2 (0.57) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL13930857 0.89 KDM4E (0.61) FPR2PTPN2PTPN1PTPN6GLS
SCHEMBL13930859 0.88 ALDH1A1 (0.66) FPR2PTPN2PTPN1PTPN6KMT2A
SCHEMBL4965158 0.87 L3MBTL1 (0.67) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL2316963 0.87 PTPN2 (0.64) FPR2PTPN2PTPN1PTPN6GLS
SCHEMBL5778694 0.87 GPR119 (0.60) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL13930876 0.86 CETP (0.65) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL3637978 0.86 GPR119 (0.62) PTPN2PTPN1PTPN6GLSGPR119

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC FPR2 1460/4885FPR3 340/4885PTPN2 3525/4885

“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.