SCHEMBL10100731

SCHEMBL10100731

CC(C)(C)c1cnc2c(c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30

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
SCHEMBL18949167 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL18949157 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL18949217 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL18949083 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL12903040 0.96 ADRA2A (0.40) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL12398688 0.83 ADRA2A (0.32) ADRA2AADRA2BADRA2CTP53
SCHEMBL19682255 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL18949084 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL18949087 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL12398696 0.81 ADRA2A (0.33) ADRA2AADRA2BADRA2CGAAALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2019-06-06 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-9718821-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2017-08-01 US disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-9051327-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2015-06-09 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 2011-11-03 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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 (14 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 ADRA2A 45/4885ADRA2B 95/4885ADRA2C 25/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 ADRA2A 3899/4885ADRA2B 4178/4885ADRA2C 4433/4885
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR ADRA2A 73/4885ADRA2B 76/4885ADRA2C 74/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADRA2A 168/4885ADRA2B 294/4885ADRA2C 481/4885
US-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 ADRA2A 796/4885ADRA2B 880/4885ADRA2C 662/4885
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 ADRA2A 119/4885ADRA2B 129/4885ADRA2C 103/4885
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE ITGB1, ITGA1, ITGAV ADRA2A 488/4885ADRA2B 274/4885ADRA2C 932/4885
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ADRA2A 2829/4885ADRA2B 3180/4885ADRA2C 2627/4885
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 ADRA2A 78/4885ADRA2B 85/4885ADRA2C 84/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 ADRA2A 1828/4885ADRA2B 1395/4885ADRA2C 748/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG ADRA2A 69/4885ADRA2B 77/4885ADRA2C 63/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ADRA2A 168/4885ADRA2B 294/4885ADRA2C 481/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ADRA2A 2829/4885ADRA2B 3180/4885ADRA2C 2627/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ADRA2A 253/4885ADRA2B 217/4885ADRA2C 613/4885

“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.