SCHEMBL16624956

SCHEMBL16624956

CC(C)(C)N1CCCC2(CCN(C(C)(C)C)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HSD11B1 P28845 1/20 0.32
USP2 O75604 1/20 0.30

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
SCHEMBL23594052 0.93 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16117658 0.91 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13227074 0.88 GRM5 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16624955 0.88 CRHBP (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13697436 0.88 HSD11B1 (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL10200642 0.88 GRM5 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15781124 0.88 HSD11B1 (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13174020 0.88 HSD11B1 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17717154 0.88 HSD11B1 (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12312781 0.88 HSD11B1 (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins KURA ONCOLOGY, INC. (US) 2023-01-03 US disclosed
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-05-05 US disclosed
US-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-04-21 US disclosed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-20200165224-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS WELLSPRING BIOSCIENCES LLC 2020-05-28 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-10174041-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins KURA ONCOLOGY, INC. (US) 2019-01-08 US disclosed
US-20180105531-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS WELLSPRING BIOSCIENCES LLC 2018-04-19 US disclosed
US-20180105531-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS WELLSPRING BIOSCIENCES LLC 2018-04-19 US disclosed
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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 (12 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 GRIN2D 4663/4885GRIN3B 4181/4885CHRM2 2523/4885
US-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 GRIN2D 4015/4885GRIN3B 3529/4885CHRM2 4866/4885
US-20200165224-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS MLLT1, MEN1, BMI1 GRIN2D 3180/4885GRIN3B 1952/4885CHRM2 4544/4885
US-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins MLLT1, MEN1, BMI1 GRIN2D 3180/4885GRIN3B 1952/4885CHRM2 4544/4885
US-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, SLC10A2, REL GRIN2D 1722/4885GRIN3B 697/4885CHRM2 2335/4885
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, REL, SLC10A2 GRIN2D 1781/4885GRIN3B 705/4885CHRM2 2444/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 GRIN2D 4695/4885GRIN3B 4312/4885CHRM2 2172/4885
US-10174041-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins MLLT1, MEN1, BMI1 GRIN2D 3180/4885GRIN3B 1952/4885CHRM2 4544/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 GRIN2D 4663/4885GRIN3B 4181/4885CHRM2 2523/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A GRIN2D 1215/4885GRIN3B 1156/4885CHRM2 1556/4885
US-20180105531-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS MLLT1, MEN1, BMI1 GRIN2D 3180/4885GRIN3B 1952/4885CHRM2 4544/4885
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 GRIN2D 613/4885GRIN3B 905/4885CHRM2 540/4885

“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.