Sugi Predict

Sugi Predict / Compounds / SCHEMBL9944475

SCHEMBL9944475

SCHEMBL9944475

CC(C)(C)CC(=O)N1CCC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.40
▸ DPP4 P27487 3/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CNR2 P34972 4/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ KCNQ3 O43525 2/20 0.36
▸ KCNQ2 O43526 2/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ PIK3R1 P27986 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
SCHEMBL12384325 0.89 CNR2 (0.42) RORCDPP4CNR2CNR1KCNQ3
SCHEMBL11890358 0.85 CNR1 (0.40) RORCDPP4CNR2CNR1KCNQ3
SCHEMBL12909930 0.84 RORC (0.40) RORCDPP4CNR2CNR1KCNQ3
SCHEMBL14655575 0.83 DPP4 (0.38) RORCDPP4DPP7CNR2CNR1
SCHEMBL22900101 0.83 CNR2 (0.42) RORCDPP4CNR2CNR1KCNQ3
SCHEMBL23518495 0.81 RORC (0.39) RORCDPP4OPRM1CYP3A4CYP1A2
SCHEMBL11890319 0.81 RORC (0.39) RORCDPP4CNR2KCNQ2NAMPT
SCHEMBL12125395 0.80 DPP4 (0.39) RORCDPP4CNR2CNR1KCNQ3
SCHEMBL10305031 0.79 OPRM1 (0.50) DPP4DPP7NAMPTGRIN2BGRIN1
SCHEMBL22900045 0.79 RORC (0.38) RORCDPP4CNR2KCNQ2NAMPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 — — US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 — — US disclosed
US-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-26 — — US disclosed
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 — — US disclosed
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-11-14 — — US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 — — US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 — — US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 — — US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 — — US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 — — US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 — — US disclosed
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 — — US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 — — US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 — — US 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 (11 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-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof JAK2, JAK1, JAK3 RORC 707/4885DPP4 487/4885DPP7 306/4885
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 RORC 139/4885DPP4 540/4885DPP7 517/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 RORC 139/4885DPP4 540/4885DPP7 517/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 RORC 3755/4885DPP4 1965/4885DPP7 1401/4885
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A RORC 307/4885DPP4 1826/4885DPP7 1486/4885
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 RORC 707/4885DPP4 487/4885DPP7 306/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 RORC 139/4885DPP4 540/4885DPP7 517/4885
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 RORC 4223/4885DPP4 1/4885DPP7 3/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A RORC 343/4885DPP4 2266/4885DPP7 2034/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 RORC 139/4885DPP4 540/4885DPP7 517/4885
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 RORC 676/4885DPP4 1/4885DPP7 4/4885

“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.