SCHEMBL11630992

SCHEMBL11630992

CC(C)NCC1OCCO1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
EZH2 Q15910 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL11301329 0.83
SCHEMBL11630880 0.79 CYP2D6 (0.32)
SCHEMBL11631073 0.76 LMNA (0.34)
SCHEMBL13483446 0.76
SCHEMBL9644041 0.72
SCHEMBL6278550 0.72
SCHEMBL24853684 0.72 CHRM2 (0.46) EZH2
SCHEMBL21430658 0.72 CHRM2 (0.46) EZH2
SCHEMBL12259026 0.72 CHRM2 (0.46) EZH2
SCHEMBL441973 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989434-B2 Heterocyclic self-immolative linkers and conjugates SEATTLE GENETICS, INC. (US) 2011-08-02 US disclosed
US-20100273843-A1 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES SEAGEN INC. 2010-10-28 US disclosed
US-7754681-B2 Heterocyclic self-immolative linkers and conjugates SEATTLE GENETICS, INC. (US) 2010-07-13 US disclosed
US-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates SEAGEN INC. 2009-02-12 US disclosed
US-7375078-B2 Heterocyclic self-immolative linkers and conjugates GENENTECH, INC. (US) 2008-05-20 US disclosed
US-4113464-A HERBICIDES VELSICOL CHEMICAL COMPANY (US) 1978-09-12 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-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates CTSL, DNPEP, CTSE HTR2C 3691/4885EZH2 4516/4885ADRB2 4666/4885
US-20100273843-A1 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES CTSL, DNPEP, CTSE HTR2C 3691/4885EZH2 4516/4885ADRB2 4666/4885

“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.