SCHEMBL21068872

SCHEMBL21068872

COC(=O)CCCN1CCN(CCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
PAOX Q6QHF9 1/20 0.44
GLA P06280 1/20 0.44
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.39
KAT2B Q92831 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2C P18825 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
EBP Q15125 1/20 0.37

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
SCHEMBL31442406 0.93 TSHR (0.50) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL11570934 0.92 TSHR (0.58) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL26528338 0.89 PAOX (0.56) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL12323784 0.85 TSHR (0.50) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL15150928 0.85 TSHR (0.54) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL1856574 0.85 SMN1; SMN2 (0.57) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL13943130 0.84 PAOX (0.56) TSHRSMN1; SMN2PAOXGLAFPR3
SCHEMBL2127041 0.83 SMN1; SMN2 (0.60) TSHRSMN1; SMN2GLAFPR3FPR2
SCHEMBL11732584 0.83 SMN1; SMN2 (0.60) TSHRSMN1; SMN2GLAFPR3FPR2
SCHEMBL21068880 0.82 TSHR (0.47) TSHRSMN1; SMN2PAOXGLAFPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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 (1 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 TSHR 687/4885SMN1; SMN2 1942/4885PAOX 2046/4885

“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.