Sugi Predict

Sugi Predict / Compounds / SCHEMBL3552336

SCHEMBL3552336

SCHEMBL3552336

COC(=O)c1ncccc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HCRTR2 O43614 1/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ PDK2 Q15119 2/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ SSTR4 P31391 3/20 0.41
▸ SSTR1 P30872 2/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ CNR2 P34972 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
SCHEMBL27997122 0.90 L3MBTL1 (0.48) L3MBTL1HCRTR2HCRTR1PDK2PDK4
SCHEMBL31589420 0.84 L3MBTL1 (0.46) L3MBTL1CNR2
SCHEMBL2421222 0.81 GPR119 (0.53) ALDH1A1KDM4E
SCHEMBL6502458 0.81 HCRTR1 (0.44) L3MBTL1HCRTR1PDK2SSTR4SSTR1
SCHEMBL16741011 0.81 HCRTR1 (0.48) HCRTR1PDK2SSTR4SSTR1IDO1
SCHEMBL3547214 0.80 KDM4E (0.53) L3MBTL1HCRTR1PDK2ALOX15ALDH1A1
SCHEMBL2241353 0.78 HCRTR1 (0.43) L3MBTL1HCRTR1PDK2SSTR4SSTR1
SCHEMBL69177 0.75 L3MBTL1 (0.64) L3MBTL1MAP2K1ALOX15HTTALDH1A1
SCHEMBL30599089 0.75 KMT2A (0.40) HCRTR1PDK2SSTR4SSTR1CNR2
SCHEMBL30865565 0.75 L3MBTL1 (0.45) L3MBTL1MAP2K1ALDH1A1KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111356684-B Herbicidal pyridyl ethers 巴斯夫欧洲公司 2025-03-28 — — CN disclosed
CN-118574511-A Application of isoxazoline carboxamide in inhibiting germination 拜耳公司 2024-08-30 — — CN disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 — — US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 — — US disclosed
US-11306088-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-04-19 — — US disclosed
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-11-25 — — US disclosed
US-10988465-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2021-04-27 — — US disclosed
EP-3808748-A1 SUBSTITUTED PIPERIDINES AS CXCR4-INHIBITORS X4 Pharmaceuticals, Inc. (US) 2021-04-21 — — EP disclosed
US-20210047320-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-02-18 — — US disclosed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 — — EP disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 — — WO disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 — — US disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 — — US disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 — — US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 — — US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 — — EP 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 (7 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-20210047320-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 3322/4885HCRTR2 656/4885HCRTR1 854/4885
US-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A L3MBTL1 1821/4885HCRTR2 4111/4885HCRTR1 3716/4885
US-11780837-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 L3MBTL1 3322/4885HCRTR2 656/4885HCRTR1 854/4885
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 3322/4885HCRTR2 656/4885HCRTR1 854/4885
US-10988465-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 L3MBTL1 3322/4885HCRTR2 656/4885HCRTR1 854/4885
US-11306088-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 L3MBTL1 3322/4885HCRTR2 656/4885HCRTR1 854/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 L3MBTL1 1678/4885HCRTR2 1815/4885HCRTR1 631/4885

“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.