SCHEMBL3354675

SCHEMBL3354675

COC(=O)[C@@H]1[C@H]2C[C@H]3c4c(c5ccccc5n4C)CCN3C[C@@H]2CC[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.66
ADRA1A P35348 9/20 0.66
CYP2D6 P10635 5/20 0.66
ADRA2B P18089 5/20 0.66
ADRA2C P18825 5/20 0.66
ADRA1B P35368 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CYP3A4 P08684 3/20 0.66
ADRA1D P25100 3/20 0.66
PMP22 Q01453 3/20 0.66
HSD17B10 Q99714 2/20 0.66
KDM4E B2RXH2 2/20 0.66
LMNA P02545 2/20 0.66
CYP1A2 P05177 2/20 0.66
TSHR P16473 2/20 0.66
HTR1A P08908 2/20 0.66
THRB P10828 2/20 0.66
HPGD P15428 2/20 0.66
HTR1B P28222 2/20 0.66

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
SCHEMBL3146560 0.91 ADRA2A (0.66) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
SCHEMBL9475202 0.89 ADRA2A (0.62) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL564078 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL22703462 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL13932206 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL25366080 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL10020758 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL23244673 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Yohimbine SCHEMBL33954 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C
Rauwolscine SCHEMBL8097702 0.80 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2014-08-21 US disclosed
US-8748177-B2 Compositions for proliferation of cells and related methods THE HOSPITAL FOR SICK CHILDREN (CA) 2014-06-10 US disclosed
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2011-12-08 US disclosed
WO-2010039679-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2010-04-08 WO 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-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ADRA2A 4834/4885ADRA1A 4760/4885CYP2D6 4157/4885
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ADRA2A 4834/4885ADRA1A 4760/4885CYP2D6 4157/4885

“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.