Sugi Predict

Sugi Predict / Compounds / SCHEMBL11921171

SCHEMBL11921171

SCHEMBL11921171

CC(C)N1CCn2c(cccc2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CCNE2 O96020 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ MAOB P27338 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL21739456 0.84 KDM4E (0.38) KDM4EALDH1A1CYP1A2GLACYP3A4
SCHEMBL11923502 0.77 MAOA (0.35) PARP1MAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24329608 0.71 CYP2D6 (0.34) HRH3KCNH2KDM4EALDH1A1CYP2D6
SCHEMBL21130967 0.70 MCHR1 (0.38) HRH3KCNH2CCNE2CDK4CCND1
SCHEMBL24728985 0.69 P2RX7 (0.35) HRH3KDM4EALDH1A1CYP1A2GLA
SCHEMBL6370110 0.69 HRH3 (0.37) HRH3KCNH2MAOBKDM4EALDH1A1
SCHEMBL24711527 0.69 MAOB (0.31) HRH3KCNH2MAOB
SCHEMBL21739496 0.69 ALDH1A1 (0.33) HRH3KCNH2CCNE2CDK4CCND1
SCHEMBL24712422 0.69 DRD3 (0.32) HRH3KCNH2KDM4EALDH1A1
SCHEMBL15196098 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 — — US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 — — US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 — — US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 — — WO disclosed
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 — — WO disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 — — US disclosed
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-16 — — US disclosed
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-16 — — US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 — — US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 — — US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 — — US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 — — US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 — — US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 — — US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 — — WO disclosed
WO-2007053495-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 — — WO disclosed
WO-2007053499-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 — — 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 (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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 HRH3 187/4885KCNH2 2318/4885CCNE2 2693/4885
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 HRH3 182/4885KCNH2 2488/4885CCNE2 3017/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 HRH3 187/4885KCNH2 2318/4885CCNE2 2693/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 HRH3 170/4885KCNH2 2156/4885CCNE2 2629/4885
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 HRH3 187/4885KCNH2 2318/4885CCNE2 2693/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 HRH3 2481/4885KCNH2 4552/4885CCNE2 2518/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 HRH3 2462/4885KCNH2 4617/4885CCNE2 3409/4885

“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.