Sugi Predict

Sugi Predict / Compounds / SCHEMBL3955281

SCHEMBL3955281

SCHEMBL3955281

CC(=O)OC1CCc2ccc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.40
▸ DRD2 P14416 4/20 0.40
▸ HTR7 P34969 4/20 0.40
▸ HTR2C P28335 4/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ ABHD6 Q9BV23 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SSTR4 P31391 1/20 0.34
▸ TUBB4A P04350 3/20 0.32
▸ TUBB P07437 3/20 0.32
▸ TUBA3C P0DPH7 3/20 0.32
▸ TUBA1B P68363 3/20 0.32
▸ TUBA4A P68366 3/20 0.32
▸ TUBB4B P68371 3/20 0.32
▸ TUBB3 Q13509 3/20 0.32
▸ TUBB2A Q13885 3/20 0.32
▸ TUBB8 Q3ZCM7 3/20 0.32

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
SCHEMBL14885005 0.92 HDAC1 (0.42) CHRM4DRD2HTR7HTR2CHTR2A
SCHEMBL10286040 0.92 HDAC1 (0.42) CHRM4DRD2HTR7HTR2CHTR2A
SCHEMBL30694265 0.92 HDAC1 (0.42) CHRM4DRD2HTR7HTR2CHTR2A
SCHEMBL25904873 0.84 CHRM4 (0.38) CHRM4DRD2HTR7HTR2CTUBB4A
SCHEMBL22852087 0.82 CHRM4 (0.37) CHRM4DRD2HTR7HTR2CTUBB4A
SCHEMBL29098300 0.77 ABHD6 (0.39) CHRM4DRD2HTR7ABHD6
SCHEMBL19028066 0.76 CHRM4 (0.33) CHRM4DRD2HTR7TUBB4ATUBB
SCHEMBL30241084 0.76 CHRM4 (0.33) CHRM4DRD2HTR7TUBB4ATUBB
SCHEMBL2147611 0.76 CHRM4 (0.41) CHRM4DRD2HTR7HDAC1HDAC6
SCHEMBL10286027 0.75 CHRM4 (0.39) CHRM4DRD2HTR7HTR2CHTR2A

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
US-20230234956-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2023-07-27 — — US disclosed
US-20230234956-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2023-07-27 — — US disclosed
CN-116444493-A Derivative containing double parallel rings, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-18 — — CN disclosed
WO-2021252667-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2021-12-16 — — WO disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 — — US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 — — US disclosed
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 — — US disclosed
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 — — US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 — — US disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — WO disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 — — WO disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 — — WO disclosed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
EP-1869000-A1 CYCLOPENTAPYRIDINE AND TETRAHYDROQUINOLINE DERIVATIVES Pfizer Products Incorporated (US) 2007-12-26 — — EP disclosed
US-20060247254-A1 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER. INC 2006-11-02 — — US disclosed
WO-2006103511-A1 CYCLOPENTAPYRIDINE AND TETRAHYDROQUINOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-10-05 — — 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CHRM4 4718/4885DRD2 4650/4885HTR7 2701/4885
US-20060247254-A1 Cyclopentapyridine and tetrahydroquinoline derivatives HTR2C, HTR2A, HTR5A CHRM4 443/4885DRD2 71/4885HTR7 7/4885
US-20230234956-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS WEE1, WEE2, CCNE1 CHRM4 4884/4885DRD2 4846/4885HTR7 4297/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 CHRM4 3550/4885DRD2 4824/4885HTR7 3850/4885
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 CHRM4 205/4885DRD2 58/4885HTR7 76/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CHRM4 4718/4885DRD2 4650/4885HTR7 2701/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 CHRM4 3653/4885DRD2 4834/4885HTR7 3881/4885

“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.