SCHEMBL2215147

SCHEMBL2215147

Cc1ccc2c(c1)C(NC1=NCCN1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.40
ADRA2B P18089 6/20 0.40
ADRA2C P18825 6/20 0.40
PTGIR P43119 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HTR1D P28221 2/20 0.38
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
NISCH Q9Y2I1 1/20 0.36
HTR1B P28222 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12437174 0.81 ADRA1A (0.49) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL2215206 0.81 ADRA1A (0.49) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL2216724 0.75 UGT2B17 (0.44) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL12437177 0.74 HTR1D (0.50) ADRA2AADRA2BADRA2CTRPV1HTR1D
SCHEMBL2214929 0.74 HTR1D (0.50) ADRA2AADRA2BADRA2CTRPV1HTR1D
SCHEMBL12437176 0.74 HTR1D (0.50) ADRA2AADRA2BADRA2CTRPV1HTR1D
SCHEMBL3738928 0.74 ADRA2A (0.57) ADRA2AADRA2BADRA2CTRPV1ADRA1A
SCHEMBL12442744 0.73 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL1718475 0.73 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA
Hydrochloric Acid SCHEMBL3501970 0.72 LMNA (0.59) ADRA2AADRA2BADRA2CADRA1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101855213-B Therapeutic compounds ALLERGAN INC 2014-09-10 CN disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
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
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.