SCHEMBL157489

SCHEMBL157489

c1ccc(N2CCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.68
KDM4E B2RXH2 3/20 0.65
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
ALDH1A1 P00352 5/20 0.56
USP2 O75604 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL29462629 0.95 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL18228078 0.95 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL230367 0.95 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL60079 0.93 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL30476672 0.93 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL10637117 0.93 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL19540186 0.93 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL3154137 0.93 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL29389926 0.93 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL10642748 0.91 PLD1 (0.63) PLD1KDM4EGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP claimed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US claimed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP claimed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US claimed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO claimed
US-12522562-B2 Intestine-specific partial agonists of farnesoid X receptor and uses thereof EWHA DrugDesignHouse Co.,Ltd. (KR) 2026-01-13 US disclosed
US-11999753-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2024-06-04 US disclosed
WO-2024005520-A1 INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF EWHA DrugDesignHouse Co.,Ltd. (KR) 2024-01-04 WO disclosed
US-20230416193-A1 INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF EWHA DrugDesignHouse Co.,Ltd. (KR) 2023-12-28 US disclosed
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. 2022-06-23 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
CN-106008569-B9 Borate as arginase inhibitor and composition and application thereof 马尔斯公司 2020-05-22 CN disclosed
US-9440948-B2 Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-09-13 US disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
EP-2611788-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE University of Florida Research Foundation, Incorporated (US) 2013-07-10 EP disclosed
US-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-20 US disclosed
CN-102574845-A 1h-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG 2012-07-11 CN disclosed
WO-2012031220-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
US-4163855-A Azetidine compounds and process for production PHILIP MORRIS INCORPORATED (US) 1979-08-07 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 (7 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-20230416193-A1 INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF NR1H4, SLC10A2, FABP2 PLD1 2259/4885KDM4E 4489/4885GRIN2D 2950/4885
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PLD1 643/4885KDM4E 548/4885GRIN2D 4007/4885
US-11999753-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors KRAS, NRAS, HRAS PLD1 727/4885KDM4E 2625/4885GRIN2D 4131/4885
US-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE CHRNG, CHRNB1, CHRNB2 PLD1 1643/4885KDM4E 391/4885GRIN2D 40/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G PLD1 2584/4885KDM4E 4710/4885GRIN2D 4812/4885
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS PLD1 727/4885KDM4E 2625/4885GRIN2D 4131/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PLD1 643/4885KDM4E 548/4885GRIN2D 4007/4885

“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.