SCHEMBL5468564

SCHEMBL5468564

Cn1c(=O)c2c(ncn2CC(=O)Cl)n(C)c1=O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.76
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 2/20 0.67
MAPT P10636 1/20 0.67
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
THRB P10828 1/20 0.62
RXFP1 Q9HBX9 2/20 0.61
MAPK1 P28482 1/20 0.61

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
Acefylline SCHEMBL308514 0.87 ADORA2B (1.00) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
Acefylline SCHEMBL18191994 0.87 ADORA2B (1.00) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL11531219 0.87 ADORA2B (0.78) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL28405904 0.86 ADORA2B (0.72) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
Acefylline SCHEMBL8402147 0.85 ADORA2B (0.97) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL660023 0.85 ADORA2B (0.76) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10850696 0.84 SMN1; SMN2 (0.82) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
Acefylline SCHEMBL1477803 0.84 ADORA2B (0.74) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL15159794 0.83 ADORA2B (0.72) ADORA2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL15375895 0.83 KMT2A (0.74) ADORA2BSMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4652568-A Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof CAMILLO CORVI S.P.A. (IT) 1987-03-24 US claimed
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
WO-1989010744-A1 NEUROLOGICALLY ACTIVE COMPOUNDS NAFTCHI N ERIC (US) 1989-11-16 WO disclosed
EP-0157284-B1 THEOPHYLLINE-7-ACETIC ACID ESTER OF D,L-TRANS-SOBREROL HAVING MUCOSECRETOLYTIC-FLUIDIZING AND ANTIBRONCHOSPASTIC ACTIVITY, A PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CAMILLO CORVI S.p.A. (IT) 1989-08-09 EP disclosed
EP-0089028-B1 THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-05-25 EP disclosed
US-4652568-A Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof CAMILLO CORVI S.P.A. (IT) 1987-03-24 US disclosed
US-4652568-A Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof CAMILLO CORVI S.P.A. (IT) 1987-03-24 US disclosed
US-4584372-A Compound 3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro-(4,5)decan-2-one and a process of preparation thereof VENERO AURELIO O (ES) 1986-04-22 US disclosed
US-4565817-A ANTITUSSIVE AGENTS CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1986-01-21 US disclosed
EP-0157284-A2 Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof CAMILLO CORVI S.p.A. (IT) 1985-10-09 EP disclosed
EP-0157284-A2 Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof CAMILLO CORVI S.p.A. (IT) 1985-10-09 EP disclosed
EP-0089028-A1 Theophyllin derivatives, and process for their preparation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1983-09-21 EP 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 ADORA2B 161/4885SMN1; SMN2 713/4885LMNA 2100/4885
US-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 ADORA2B 493/4885SMN1; SMN2 365/4885LMNA 1619/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885SMN1; SMN2 365/4885LMNA 1619/4885

“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.