SCHEMBL2216731

SCHEMBL2216731

Cc1cccc2c1CCC2NC1=NCCO1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.57
ADRA2B P18089 14/20 0.57
ADRA2C P18825 14/20 0.57
ADRA1A P35348 6/20 0.57
TAAR1 Q96RJ0 1/20 0.43
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CFB P00751 1/20 0.37
IDO1 P14902 1/20 0.35

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
SCHEMBL1717847 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL1723548 0.78 ADRA2B (0.84) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL11903742 0.76 LMNA (0.57) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL4054961 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1ATRPV1
SCHEMBL15975257 0.75 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL12437176 0.74 HTR1D (0.50) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL2006482 0.74 RAB9A (0.42) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL12437177 0.74 HTR1D (0.50) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL12437171 0.74 RAB9A (0.42) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL2214929 0.74 HTR1D (0.50) ADRA2AADRA2BADRA2CADRA1ATAAR1

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-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
CN-101855213-A Therapeutic compounds ALLERGAN INC 2010-10-06 CN disclosed
EP-2188261-A1 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2010-05-26 EP disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 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-20110178143-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 ADRA2A 1550/4885ADRA2B 1943/4885ADRA2C 1223/4885

“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.