SCHEMBL4172231

SCHEMBL4172231

CCCCn1c2ccccc2c2cc(C(=O)OCC)nc(C)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.64
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGER4 P35408 1/20 0.46
SCARB1 Q8WTV0 1/20 0.46

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
SCHEMBL17517510 0.89 CNR2 (0.54) CNR2KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL2214758 0.89 CNR2 (0.54) CNR2KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL17517511 0.89 CNR2 (0.56) CNR2KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL2214355 0.89 KDM4E (0.56) CNR2KDM4EALDH1A1L3MBTL1GAA
SCHEMBL2215558 0.87 CNR2 (0.50) CNR2KDM4ELMNAALDH1A1PSEN1
SCHEMBL27917542 0.86 CNR2 (0.49) CNR2KDM4ELMNAL3MBTL1
SCHEMBL2214521 0.85 CNR2 (0.52) CNR2KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL2214591 0.84 GAA (0.50) CNR2KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL28379242 0.84 CNR2 (0.56) CNR2KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL28127507 0.83 CNR2 (0.55) CNR2KDM4ELMNAALDH1A1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US claimed

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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 CNR2 156/4885KDM4E 2869/4885LMNA 1325/4885

“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.