SCHEMBL899745

SCHEMBL899745

CCOC(=O)C1CCN(c2cc(C)nc3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
MEN1 O00255 3/20 0.74
ALDH1A1 P00352 1/20 0.74
MAPT P10636 3/20 0.59
NCF1 P14598 5/20 0.59
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
BLM P54132 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
LGMN Q99538 1/20 0.53
SHMT2 P34897 1/20 0.53

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
SCHEMBL10992611 0.84 MAPT (0.57) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6186988 0.83 MAPT (0.57) KMT2AMEN1ALDH1A1MAPTNCF1
SCHEMBL899676 0.82 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTNCF1
SCHEMBL8268928 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8270102 0.81 PDE10A (0.54) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8268926 0.79 KDM4E (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6500699 0.78 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1084138 0.78 MAPT (0.86) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1084284 0.78 MAPT (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL10992499 0.77 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E

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
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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 (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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS KMT2A 2910/4885MEN1 1483/4885ALDH1A1 1547/4885

“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.