SCHEMBL2216724

SCHEMBL2216724

Cc1cc(C)c2c(c1)C(NC1=NCCN1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.44
HTR1D P28221 5/20 0.38
HTR1B P28222 4/20 0.38
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CFB P00751 1/20 0.34

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
SCHEMBL2215147 0.75 ADRA2A (0.40) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL12437177 0.75 HTR1D (0.50) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL12437176 0.75 HTR1D (0.50) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL2214929 0.75 HTR1D (0.50) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL768916 0.75 ADRA1A (0.53) UGT2B17ADRA2AADRA1ACYP2D6
SCHEMBL4783949 0.73 TAS1R3 (0.44) ADRA2AADRA1A
SCHEMBL1975897 0.73 UGT2B17 (0.49) UGT2B17KDM4C
SCHEMBL12442744 0.72 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL1718475 0.72 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA
Hydrochloric Acid SCHEMBL3501970 0.71 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426454-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-04-23 US claimed
US-20110178144-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US claimed
EP-2188262-A1 HETEROCYCLYL SUBSTITUTED FUSED CARBOCYLES USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS GLAUCOMA AND PAIN Allergan, Inc. (US) 2010-05-26 EP claimed
WO-2009023758-A1 HETEROCYCLYL SUBSTITUTED FUSED CARBOCYLES USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS GLAUCOMA AND PAIN ALLERGAN, INC. (US) 2009-02-19 WO claimed
US-8815923-B2 Therapeutic compounds ALLERGAN, INC. (US) 2014-08-26 US disclosed
US-8815923-B2 Therapeutic compounds ALLERGAN, INC. (US) 2014-08-26 US disclosed
US-8815923-B2 Therapeutic compounds ALLERGAN, INC. (US) 2014-08-26 US disclosed
US-20130217739-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-08-22 US disclosed
US-20130217739-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-08-22 US disclosed
US-20130217739-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-08-22 US disclosed
US-8426454-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-04-23 US disclosed
US-8426454-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-04-23 US disclosed
US-20110178144-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
EP-2188261-A1 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2010-05-26 EP disclosed
EP-2188262-A1 HETEROCYCLYL SUBSTITUTED FUSED CARBOCYLES USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS GLAUCOMA AND PAIN Allergan, Inc. (US) 2010-05-26 EP disclosed
WO-2009023758-A1 HETEROCYCLYL SUBSTITUTED FUSED CARBOCYLES USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS GLAUCOMA AND PAIN ALLERGAN, INC. (US) 2009-02-19 WO disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 WO disclosed
WO-2009023758-A1 HETEROCYCLYL SUBSTITUTED FUSED CARBOCYLES USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS GLAUCOMA AND PAIN 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 (3 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 UGT2B17 698/4885HTR1D 3687/4885HTR1B 2877/4885
US-20130217739-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 UGT2B17 698/4885HTR1D 3687/4885HTR1B 2877/4885
US-20110178144-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 UGT2B17 698/4885HTR1D 3687/4885HTR1B 2877/4885

“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.