SCHEMBL21471540

SCHEMBL21471540

CCOC(=O)CCOCCN(C)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAOA P21397 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
HTR3A P46098 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTA4H P09960 2/20 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
SCHEMBL8993946 0.86 CYP1A2 (0.46) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL8993953 0.85 CYP1A2 (0.45) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL8993978 0.83 CYP1A2 (0.44) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL6287830 0.75 APP (0.46) LMNACYP3A4MAOAPHLPP2CYP2D6
SCHEMBL25567758 0.75 CYP4F2 (0.51) CYP1A2LMNACYP3A4MAOAPPIB
SCHEMBL26775803 0.75 TDP1 (0.42) CYP1A2CYP3A4MAOAPHLPP2CYP2D6
SCHEMBL30997589 0.74 DNM1 (0.51) CYP1A2SMN1; SMN2KDM4EALDH1A1LTA4H
SCHEMBL14570550 0.74 SMN1; SMN2 (0.51) CYP1A2CYP3A4SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL31123215 0.73 TDP1 (0.41) CYP3A4PHLPP2TSHRALDH1A1HDAC3
SCHEMBL13700876 0.73 MAPT (0.44) CYP1A2LMNACYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002318-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2022-01-06 US disclosed
US-11142535-B2 Heterocyclic compound as Syk inhibitor and/or Syk-HDAC dual inhibitor HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2021-10-12 US disclosed
EP-3553065-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2019-10-16 EP 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-11142535-B2 Heterocyclic compound as Syk inhibitor and/or Syk-HDAC dual inhibitor SYK, HDAC1, HDAC2 CYP1A2 2372/4885LMNA 4459/4885CYP3A4 1605/4885
US-20220002318-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR SYK, HDAC1, HDAC2 CYP1A2 2372/4885LMNA 4459/4885CYP3A4 1605/4885

“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.