SCHEMBL2426616

SCHEMBL2426616

CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3/C=C3\SC(=O)NC3=O)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.45
▸ PIM2 Q9P1W9 5/20 0.45
▸ PIM3 Q86V86 4/20 0.45
▸ GPR119 Q8TDV5 4/20 0.42
▸ MC4R P32245 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SFRP1 Q8N474 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ESRRA P11474 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
SCHEMBL2426618 1.00 PIM1 (0.45) PIM1PIM2PIM3GPR119MC4R
SCHEMBL2425657 0.89 GPR119 (0.49) PIM1PIM2PIM3GPR119NR1H4
SCHEMBL2425656 0.89 GPR119 (0.49) PIM1PIM2PIM3GPR119NR1H4
SCHEMBL12323252 0.88 POLB (0.48) PIM1PIM2PIM3NR1H4POLB
SCHEMBL12282944 0.87 PIM2 (0.59) PIM1PIM2PIM3GPR119HPGD
SCHEMBL2420168 0.87 PIM2 (0.59) PIM1PIM2PIM3GPR119HPGD
SCHEMBL2429755 0.86 PIM2 (0.57) PIM1PIM2PIM3GPR119HPGD
SCHEMBL2429753 0.86 PIM2 (0.57) PIM1PIM2PIM3GPR119HPGD
SCHEMBL2429756 0.86 PIM2 (0.57) PIM1PIM2PIM3GPR119HPGD
SCHEMBL13537962 0.83 GPR119 (0.49) PIM1PIM2PIM3GPR119NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — 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 (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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM2 3/4885PIM3 2/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM2 3/4885PIM3 2/4885

“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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