Sugi Predict

Sugi Predict / Compounds / SCHEMBL8170293

SCHEMBL8170293

SCHEMBL8170293

CC(=O)N1CCC2(CCNCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.51
▸ GABRD O14764 3/20 0.47
▸ GABRA1 P14867 3/20 0.47
▸ GABRB1 P18505 3/20 0.47
▸ GABRA5 P31644 3/20 0.47
▸ GABRA3 P34903 3/20 0.47
▸ GABRA2 P47869 3/20 0.47
▸ GABRB2 P47870 3/20 0.47
▸ GABRA4 P48169 3/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL20669275 0.89 TSHR (0.49) CYP1A2GABRDGABRA1GABRB1GABRA5
SCHEMBL12356595 0.88 CYP1A2 (0.59) CYP1A2GABRDGABRA1GABRB1GABRA5
Hydrochloric Acid SCHEMBL744621 0.86 CYP1A2 (0.57) CYP1A2GABRDGABRA1GABRB1GABRA5
SCHEMBL19534271 0.86 CYP1A2 (0.43) CYP1A2GABRDGABRA1GABRB1GABRA5
SCHEMBL5986519 0.86 OPRM1 (0.54) CYP1A2OPRM1OPRL1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL29470209 0.84 CYP1A2 (0.42) CYP1A2GABRDGABRA1GABRB1GABRA5
SCHEMBL20669201 0.82 ALDH1A1 (0.44) CYP1A2OPRM1OPRL1CYP2D6CYP2C19
SCHEMBL484826 0.82 CYP1A2 (0.49) CYP1A2GABRDGABRA1GABRB1GABRA5
SCHEMBL16852620 0.82 CYP3A4 (0.53) CYP1A2OPRM1OPRL1CYP2D6CYP2C19
SCHEMBL26832959 0.81 ALDH1A1 (0.49) CYP1A2OPRM1OPRL1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 — — CN disclosed
EP-4347594-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS Genentech, Inc. (US) 2024-04-10 — — EP disclosed
CN-117425654-A 2, 8-diazaspiro [4.5] decane compounds 基因泰克公司 2024-01-19 — — CN disclosed
WO-2022253341-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS GENENTECH, INC. (US) 2022-12-08 — — WO disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 — — EP disclosed
EP-3448522-B1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IOMET PHARMA LTD (GB) 2021-01-20 — — EP disclosed
EP-2872514-B1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 — — US disclosed
US-9273057-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 — — US disclosed
US-7834026-B2 histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 — — EP disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — 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 (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-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 CYP1A2 1093/4885GABRD 2435/4885GABRA1 1681/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 CYP1A2 2700/4885GABRD 4050/4885GABRA1 2808/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 CYP1A2 3103/4885GABRD 4420/4885GABRA1 3757/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 CYP1A2 2700/4885GABRD 4050/4885GABRA1 2808/4885

“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.