SCHEMBL5471122

SCHEMBL5471122

CC(=O)n1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.62
POLB P06746 2/20 0.62
PIK3CD O00329 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CNR1 P21554 1/20 0.62
ACHE P22303 1/20 0.62
ADORA2A P29274 1/20 0.62
ADORA1 P30542 1/20 0.62
NTSR1 P30989 1/20 0.62
MC3R P41968 1/20 0.62
NOTUM Q6P988 1/20 0.62
SIRT3 Q9NTG7 1/20 0.62
GDA Q9Y2T3 1/20 0.62
NR2E1 Q9Y466 1/20 0.62
MAPK1 P28482 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.50

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
SCHEMBL11702678 0.88 ADORA2B (0.64) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL7020240 0.87 ADORA2B (0.62) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11635125 0.84 ADORA2B (0.58) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11702913 0.84 ADORA2B (0.58) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL684080 0.83 ADORA2B (0.57) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11632640 0.83 ADORA2B (0.57) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11645874 0.83 SMN1; SMN2 (0.60) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11702624 0.83 ADORA2B (0.57) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11430962 0.81 ADORA2B (0.56) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11705193 0.81 RXFP1 (0.61) ADORA2BPOLBPIK3CDADORA3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1358178-A Pharmaceutical compounds NICOX SA (FR) 2002-07-10 CN claimed
CN-119923380-A N-substituted phenylalkylamines and their use as therapeutic agents 亚历山大舒尔金研究所有限公司 2025-05-02 CN disclosed
CN-119185329-A Application of galanthamine, niclosamide, ethyloltheophylline and thiocolchicoside compound in preparation of product for inhibiting SpCas9 from binding or cutting substrate 中国人民解放军空军军医大学 2024-12-27 CN disclosed
CN-119053326-A Capsaicin derivatives as bioenhancers of active substances metabolized by CYP1A2 and CYP2D6 艾克西化学公司 2024-11-29 CN disclosed
CN-113423435-A Treatment of respiratory disorders using arachidonic acid 15-lipoxygenase (ALOX15) inhibitors 雷杰纳荣制药公司 2021-09-21 CN disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
CN-1358178-A Pharmaceutical compounds NICOX SA (FR) 2002-07-10 CN disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US disclosed
US-4883801-A Xanthine derivative pest control agents THE GENERAL HOSPITAL CORPORATION (US) 1989-11-28 US disclosed
EP-0193599-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-09-10 EP disclosed
WO-1986001724-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-03-27 WO disclosed
US-4085214-A ANTIASTHMA INTERX RESEARCH CORPORATION (US) 1978-04-18 US disclosed
US-4002756-A Useful pro-drug forms of theophylline INTERX RESEARCH CORPORATION (US) 1977-01-11 US disclosed
US-4000132-A REACTION WITH CARBOXYLIC ACID, PHOSGENE, OR THIONYL CHLORIDE INTERX RESEARCH CORPORATION (US) 1976-12-28 US disclosed
US-3935196-A Useful pro-drug forms of theophylline INTERX RESEARCH CORPORATION (US) 1976-01-27 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 (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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 ADORA2B 115/4885POLB 2849/4885PIK3CD 2589/4885

“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.