SCHEMBL10139548

SCHEMBL10139548

CC1CN(C(=O)C(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.59
▸ CHRNA4 P43681 2/20 0.59
▸ CHRNA3 P32297 1/20 0.59
▸ CHRNB3 Q05901 1/20 0.59
▸ CHRNA6 Q15825 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PIK3CD O00329 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL14465908 0.91 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL14165128 0.91 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL16573340 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL10140415 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL19156224 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13615983 0.82 ALDH1A1 (0.55) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12449153 0.82 ALDH1A1 (0.55) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL5020025 0.82 ALDH1A1 (0.55) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL25146761 0.82 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL25146770 0.82 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 — — WO disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 — — US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 — — US disclosed
US-20220177577-A1 ANTI-CD117 ANTIBODY DRUG CONJUGATES AND USES THEREOF Magenta Therapeutics, Inc. 2022-06-09 — — US disclosed
EP-3888657-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2021-10-06 — — EP disclosed
EP-3513793-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2019-07-24 — — EP disclosed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
WO-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 — — WO disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 — — US disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US disclosed
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 — — US disclosed
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 — — 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 (11 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-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 CHRNB2 4658/4885CHRNA4 4783/4885CHRNA3 4612/4885
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC CHRNB2 1695/4885CHRNA4 1721/4885CHRNA3 1192/4885
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 CHRNB2 3264/4885CHRNA4 1981/4885CHRNA3 2250/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A CHRNB2 1341/4885CHRNA4 1055/4885CHRNA3 821/4885
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same AVPR1B, PRLHR, HRH4 CHRNB2 294/4885CHRNA4 420/4885CHRNA3 497/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CHRNB2 4542/4885CHRNA4 4546/4885CHRNA3 4435/4885
US-20220177577-A1 ANTI-CD117 ANTIBODY DRUG CONJUGATES AND USES THEREOF SIGLEC7, FUT7, ITGB7 CHRNB2 2507/4885CHRNA4 1698/4885CHRNA3 1624/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 CHRNB2 421/4885CHRNA4 279/4885CHRNA3 299/4885
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA CHRNB2 2092/4885CHRNA4 3180/4885CHRNA3 3022/4885
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC CHRNB2 1695/4885CHRNA4 1721/4885CHRNA3 1192/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG CHRNB2 1834/4885CHRNA4 1427/4885CHRNA3 1144/4885

“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.

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