SCHEMBL2162820

SCHEMBL2162820

COc1ccc(C(C)C)cc1CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 8/20 0.57
ALDH1A1 P00352 5/20 0.57
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 5/20 0.53
TSHR P16473 1/20 0.53
TACR1 P25103 2/20 0.50
ALOX15 P16050 1/20 0.49
PKM P14618 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
BCHE P06276 1/20 0.46
CYP2D6 P10635 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
SCHEMBL13496869 0.90 KMT2A (0.56) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL29824698 0.74 KMT2A (0.53) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL23389168 0.74 KMT2A (0.53) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL4999941 0.74 KMT2A (0.94) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL17482339 0.73 BCHE (0.69) KMT2AMEN1LMNAHTTMAPK1
SCHEMBL3829032 0.73 LMNA (0.69) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL2161660 0.73 TACR1 (0.54) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL2161658 0.73 TACR1 (0.54) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL14159468 0.73 ALDH1A1 (0.62) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL1786446 0.72 GAA (0.55) KMT2AMEN1LMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
WO-2010012817-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 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 (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-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME HTR7, HTR1A, HTR6 KMT2A 3309/4885MEN1 1156/4885LMNA 2637/4885

“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.