SCHEMBL841886

SCHEMBL841886

CC(C)(C)OC(=O)N1CCCC1CCBr

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ ATM Q13315 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ PDE8B O95263 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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 1.00 HSD17B10 (0.46) HSD17B10ATMSMN1; SMN2ALDH1A1FPR3
SCHEMBL33526612 1.00 HSD17B10 (0.46) HSD17B10ATMSMN1; SMN2ALDH1A1FPR3
SCHEMBL842174 0.95 ATM (0.47) HSD17B10ATMSMN1; SMN2ALDH1A1FPR3
SCHEMBL539034 0.88 HSD17B10 (0.48) HSD17B10ATMSMN1; SMN2ALDH1A1FPR3
SCHEMBL29739 0.88 HSD17B10 (0.48) HSD17B10ATMSMN1; SMN2ALDH1A1FPR3
SCHEMBL398772 0.88 HSD17B10 (0.48) HSD17B10ATMSMN1; SMN2ALDH1A1FPR3
SCHEMBL639097 0.86 ATM (0.49) HSD17B10ATMSMN1; SMN2ALDH1A1PDE8B
SCHEMBL3420227 0.86 ATM (0.49) HSD17B10ATMSMN1; SMN2ALDH1A1PDE8B
SCHEMBL13381365 0.86 ATM (0.58) HSD17B10ATMSMN1; SMN2ALDH1A1PDE8B
SCHEMBL16983241 0.86 ATM (0.58) HSD17B10ATMSMN1; SMN2ALDH1A1PDE8B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8143273-B2 Quinolizidine and indolizidine derivatives HOFFMAN-LA ROCHE INC. (US) 2012-03-27 — — US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — 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
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
CN-1399639-A Novel oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-02-26 — — CN 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 (2 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HSD17B10 1800/4885ATM 1972/4885SMN1; SMN2 1282/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HSD17B10 1800/4885ATM 1972/4885SMN1; SMN2 1282/4885

“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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