SCHEMBL2224926

SCHEMBL2224926

COc1ccc(CN2CCC(N)CC2=O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 4/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 4/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL26627655 0.88 BTK (0.47) BTKALDH1A1POLBTDP1TSHR
SCHEMBL26627646 0.88 BTK (0.47) BTKALDH1A1POLBTDP1TSHR
SCHEMBL22508413 0.81 BTK (0.47) BTKALDH1A1POLBTDP1TSHR
SCHEMBL10640944 0.80 KDM4E (0.53) BTKALDH1A1POLBTDP1TSHR
SCHEMBL22508403 0.80 BTK (0.48) BTKALDH1A1POLBTDP1TSHR
SCHEMBL2226923 0.79 ALDH1A1 (0.62) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL16963946 0.79 BTK (0.48) BTKALDH1A1POLBTDP1TSHR
SCHEMBL23084726 0.79 BTK (0.53) BTKALDH1A1POLBTDP1TSHR
SCHEMBL21448744 0.79 BTK (0.53) BTKALDH1A1POLBTDP1TSHR
SCHEMBL8373325 0.78 MTNR1A (0.52) BTKALDH1A1TSHRMAPK1KMT2A

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 BTK 690/4885ALDH1A1 1168/4885POLB 660/4885

“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.