Sugi Predict

Sugi Predict / Compounds / SCHEMBL2270783

SCHEMBL2270783

SCHEMBL2270783

CC(C)(C)OC(=O)N1CCC(CO)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.61
▸ HSD11B1 P28845 1/20 0.58
▸ CCR5 P51681 4/20 0.54
▸ TSHR P16473 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ GPR119 Q8TDV5 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ STS P08842 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.44

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
SCHEMBL16565515 0.90 TACR1 (0.59) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL17886658 0.88 TACR1 (0.63) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL12289569 0.88 GPR119 (0.50) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL557992 0.88 TACR1 (0.60) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL19226428 0.88 TACR1 (0.60) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL3592235 0.87 TACR1 (0.48) TACR1HSD11B1CCR5OPRD1OPRK1
SCHEMBL17886657 0.87 TACR1 (0.59) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL652130 0.87 MEN1 (0.53) TACR1HSD11B1CCR5OPRD1OPRK1
SCHEMBL2427295 0.87 TACR1 (0.51) TACR1HSD11B1CCR5TSHRALOX15
SCHEMBL1938618 0.87 RORC (0.48) TACR1HSD11B1CCR5TSHRALOX15

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 — — EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 — — US disclosed
US-5620989-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P MERCK SHARP & DOHME LIMITED (GB) 1997-04-15 — — US disclosed
CN-1128756-A Compounds as selective antagonists of the human tachykinin III receptor and uses thereof SANOFI CORP (FR) 1996-08-14 — — CN disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 — — WO disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 — — EP disclosed
EP-0673367-A1 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-09-27 — — EP disclosed
EP-0666856-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-08-16 — — EP disclosed
WO-1995019344-A1 GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-07-20 — — WO disclosed
WO-1994013639-A1 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-06-23 — — WO disclosed
WO-1994010165-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 — — 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 (4 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TACR1 1650/4885HSD11B1 3719/4885CCR5 2552/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TACR1 1650/4885HSD11B1 3719/4885CCR5 2552/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 TACR1 2662/4885HSD11B1 3216/4885CCR5 1051/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TACR1 1650/4885HSD11B1 3719/4885CCR5 2552/4885

“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.