Sugi Predict

Sugi Predict / Compounds / SCHEMBL619008

SCHEMBL619008

SCHEMBL619008

CC(C)(C)OC(=O)N1CCc2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ NOTUM Q6P988 2/20 0.50
▸ XIAP P98170 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL17795396 0.92 BRD4 (0.45) DRD2CHRM4HTR7NOTUMXIAP
SCHEMBL30147443 0.89 NOTUM (0.65) DRD2CHRM4HTR7NOTUMESR2
SCHEMBL16603725 0.89 NOTUM (0.65) DRD2CHRM4HTR7NOTUMESR2
SCHEMBL23063860 0.84 DRD2 (0.52) DRD2CHRM4HTR7NOTUMXIAP
SCHEMBL3905057 0.84 ESR2 (0.61) DRD2CHRM4HTR7NOTUMESR2
SCHEMBL31521005 0.83 NR1H2 (0.62) DRD2CHRM4HTR7NOTUMESR2
SCHEMBL29507117 0.83 CHRM4 (0.51) DRD2CHRM4HTR7NOTUMXIAP
SCHEMBL6297834 0.83 CHRM4 (0.51) DRD2CHRM4HTR7NOTUMXIAP
SCHEMBL595638 0.83 CHRM4 (0.51) DRD2CHRM4HTR7NOTUMXIAP
SCHEMBL26926028 0.83 CHRM4 (0.53) DRD2CHRM4HTR7NOTUMESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 — — CN disclosed
EP-3632915-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2020-04-08 — — EP disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 — — EP disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 — — EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
CN-101677547-A Indole carboxamides as the IKK2 inhibitor SMITHKLINE BEECHAM CORP 2010-03-24 — — CN disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 — — US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 — — US disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 — — WO disclosed
CN-1312154-C Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2007-04-25 — — CN disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 — — EP disclosed
CN-1639165-A Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2005-07-13 — — CN disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 — — US disclosed
EP-1483265-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-08 — — EP disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 — — 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 (3 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 DRD2 4662/4885CHRM4 3020/4885HTR7 3479/4885
US-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 DRD2 4440/4885CHRM4 4527/4885HTR7 3181/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DRD2 4440/4885CHRM4 4527/4885HTR7 3181/4885

“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.