SCHEMBL842174

SCHEMBL842174

CC(C)(C)OC(=O)N1CCCCC1CCBr

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.47
▸ PDE8B O95263 1/20 0.45
▸ KDM1A O60341 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ PREP P48147 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL14934749 0.95 HSD17B10 (0.46) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL841886 0.95 HSD17B10 (0.46) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL33526612 0.95 HSD17B10 (0.46) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL190190 0.88 PDE8B (0.47) ATMPDE8BKDM1AHSD17B10HPGD
SCHEMBL1551631 0.87 ATM (0.51) ATMPDE8BKDM1AHSD17B10CHEK2
SCHEMBL2345014 0.87 ATM (0.51) ATMPDE8BKDM1AHSD17B10CHEK2
SCHEMBL2687901 0.87 ATM (0.60) ATMPDE8BKDM1AHSD17B10CHEK2
SCHEMBL20828130 0.87 ATM (0.60) ATMPDE8BKDM1AHSD17B10CHEK2
SCHEMBL20828126 0.87 ATM (0.60) ATMPDE8BKDM1AHSD17B10CHEK2
SCHEMBL2354644 0.87 ATM (0.51) ATMPDE8BKDM1AHSD17B10CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132449-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
CN-105073742-A Flap modulators JANSSEN PHARMACEUTICA NV 2015-11-18 — — CN disclosed
EP-2585460-B1 QUINOLIZIDINE AND INDOLIZIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-01 — — EP disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
EP-2585460-A1 QUINOLIZIDINE AND INDOLIZIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-01 — — EP disclosed
CN-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 — — CN disclosed
US-8143273-B2 Quinolizidine and indolizidine derivatives HOFFMAN-LA ROCHE INC. (US) 2012-03-27 — — US disclosed
US-8143273-B2 Quinolizidine and indolizidine derivatives HOFFMAN-LA ROCHE INC. (US) 2012-03-27 — — US disclosed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 — — CN disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 — — WO disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 — — US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 — — WO disclosed
US-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2004-09-30 — — US disclosed
EP-1435955-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SmithKline Beecham P.L.C. (GB) 2004-07-14 — — EP disclosed
WO-2002089800-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 — — 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 (3 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 ATM 321/4885PDE8B 3629/4885KDM1A 1204/4885
US-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R ATM 4586/4885PDE8B 3067/4885KDM1A 1371/4885
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ATM 1972/4885PDE8B 4207/4885KDM1A 4132/4885

“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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