SCHEMBL10072024

SCHEMBL10072024

COc1cc2c(cc1OC)C(CC(=O)CC=O)NCC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
KMT2A Q03164 2/20 0.53
MAOA P21397 2/20 0.51
TSHR P16473 1/20 0.51
GRIN2D O15399 8/20 0.51
GRIN3B O60391 8/20 0.51
GRIN1 Q05586 8/20 0.51
GRIN2A Q12879 8/20 0.51
GRIN2B Q13224 8/20 0.51
GRIN2C Q14957 8/20 0.51
GRIN3A Q8TCU5 8/20 0.51
KDM4C Q9H3R0 1/20 0.50
RAB9A P51151 1/20 0.48

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
SCHEMBL8202805 0.85 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL7715339 0.84 BCHE (0.60) BCHEKMT2AMAOATSHRGRIN2D
Hydrochloric Acid SCHEMBL420910 0.84 BCHE (0.54) BCHEKMT2AMAOATSHRGRIN2D
Water SCHEMBL6489575 0.83 BCHE (0.58) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL12394541 0.82 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL12394540 0.82 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
Hydrochloric Acid SCHEMBL6478440 0.82 BCHE (0.57) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL8200714 0.81 KMT2A (0.58) BCHEKMT2AMAOATSHRGRIN2D
Hydrochloric Acid SCHEMBL422740 0.80 KMT2A (0.57) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL14266747 0.80 BCHE (0.50) BCHEKMT2AMAOATSHRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022260-A1 PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE ABRECHT STEFAN (CH) 2012-01-26 US disclosed
US-20120010413-A1 Process for the Preparation of Pyrido [2,1-a] Isoquinoline Derivatives by Catalytic Asymmetric Hydrogenation of an Enamine ABRECHT STEFAN (CH) 2012-01-12 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-20120022260-A1 PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE PNPO, ENO1, CHRM1 BCHE 1011/4885KMT2A 2002/4885MAOA 317/4885
US-20120010413-A1 Process for the Preparation of Pyrido [2,1-a] Isoquinoline Derivatives by Catalytic Asymmetric Hydrogenation of an Enamine IDO2, IDO1, H1-2 BCHE 1450/4885KMT2A 819/4885MAOA 794/4885

“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.