SCHEMBL11952852

SCHEMBL11952852

CN1CCN(CC(=O)N2CCNCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PHGDH O43175 1/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.42
BIRC2 Q13490 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 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
SCHEMBL1906248 0.93 GAA (0.52) GAAPHGDHTSHRALOX15HSD17B10
SCHEMBL4000321 0.86 GAA (0.50) GAAPHGDHTSHRALOX15HSD17B10
SCHEMBL361321 0.86 GAA (0.56) GAATSHRALOX15HSD17B10ALDH1A1
SCHEMBL11952846 0.86 GAA (0.61) GAATSHRALOX15HSD17B10ALDH1A1
SCHEMBL14532458 0.85 GAA (0.47) GAATSHRALOX15HSD17B10ALDH1A1
SCHEMBL8191172 0.84 PHGDH (0.47) GAAPHGDHSMN1; SMN2CA2CA12
SCHEMBL22882728 0.83 GAA (0.48) GAATSHRALOX15HSD17B10ALDH1A1
SCHEMBL655825 0.82 GAA (0.69) GAATSHRALOX15HSD17B10ALDH1A1
SCHEMBL2075916 0.82 GAA (0.63) GAATSHRALOX15HSD17B10ALDH1A1
SCHEMBL11952850 0.81 GAA (0.67) GAATSHRALOX15HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-7906341-B2 Isobaric sets, mass differential labeling sets; mass spectrometry DH TECHNOLOGIES DEVELOPMENT PTE, LTD. (SG) 2011-03-15 US disclosed
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination APPLERA CORPORATION (US) 2008-10-02 US disclosed
WO-2008005846-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2008-01-10 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 (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-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination SRMS, KLK3, MPO GAA 959/4885PHGDH 2462/4885TSHR 4283/4885
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, KLK3, MPO GAA 959/4885PHGDH 2462/4885TSHR 4283/4885

“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.