SCHEMBL3313756

SCHEMBL3313756

COc1cc(N(C)CC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
STING1 Q86WV6 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NR1D1 P20393 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13362035 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL3312259 0.80 NR1D1 (0.42) ALDH1A1TDP1HTTLMNAL3MBTL1
SCHEMBL27539398 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL13362107 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4MTNR1AMTNR1BTSHR
SCHEMBL13215503 0.76 MTNR1A (0.41) ALDH1A1MTNR1AMTNR1BSTING1TSHR
SCHEMBL221652 0.75 MTNR1A (0.58) ALDH1A1CYP3A4MTNR1AMTNR1BSTING1
SCHEMBL10000463 0.73 NCEH1 (0.44) ALDH1A1MTNR1AMTNR1BAAK1LMNA
SCHEMBL3720237 0.73 ALDH1A1 (0.47) ALDH1A1CYP3A4MTNR1AMTNR1BTSHR
SCHEMBL22954599 0.73 MTNR1A (0.43) ALDH1A1CYP3A4MTNR1AMTNR1BTSHR
SCHEMBL13362051 0.73 ALDH1A1 (0.39) ALDH1A1TSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885CYP3A4 49/4885MTNR1A 3253/4885

“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.