SCHEMBL21068690

SCHEMBL21068690

COC(=O)CN1CC2(CCNCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CYP2D6 P10635 6/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
MEN1 O00255 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 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
SCHEMBL21068452 0.85 CYP1A2 (0.46) KDM1AMAOBRCOR1CYP2D6CYP1A2
SCHEMBL18624605 0.82 KDM1A (0.37) KDM1AMAOBRCOR1CYP2D6CYP1A2
SCHEMBL19992841 0.78 CYP2D6 (0.41) KDM1AMAOBRCOR1CYP2D6CYP1A2
SCHEMBL21068969 0.77 CYP2C19 (0.41) CYP2D6CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL2922056 0.76 CHRM5 (0.55) TSHRKMT2ACHRM5CHRM3MEN1
SCHEMBL10127159 0.75 CYP3A4 (0.34) KDM1AMAOBRCOR1CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL8483418 0.74 CHRM5 (0.53) TSHRKMT2ACHRM5CHRM3MEN1
SCHEMBL7933593 0.74 CHRM5 (0.53) TSHRKMT2ACHRM5CHRM3MEN1
Hydrochloric Acid SCHEMBL4219766 0.74 CHRM5 (0.53) TSHRKMT2ACHRM5CHRM3MEN1
SCHEMBL6887723 0.74 CHRM5 (0.53) TSHRKMT2ACHRM5CHRM3MEN1

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 KDM1A 1498/4885MAOB 517/4885RCOR1 888/4885

“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.