SCHEMBL4040200

SCHEMBL4040200

O=C(NC[C]1CCCCCCC1)c1cc(CN2CC3CC2CN3)ccc1Cl.[CH2].[CH2]

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.68
CHRM3 P20309 2/20 0.47
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34
CCR3 P51677 2/20 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
SCHEMBL7665338 0.81 P2RX7 (1.00) P2RX7
SCHEMBL7559649 0.81 P2RX7 (0.81) P2RX7
SCHEMBL3951445 0.76 P2RX7 (0.64) P2RX7CHRM3GAA
SCHEMBL5142841 0.75 NPC1 (0.44) P2RX7LMNATP53SMN1; SMN2ALDH1A1
SCHEMBL5334659 0.74 CYP4F2 (0.46) P2RX7LMNATP53SMN1; SMN2ALDH1A1
SCHEMBL7661977 0.73 P2RX7 (0.61) P2RX7CHRM3GAA
SCHEMBL8081000 0.73 CA1 (0.55) P2RX7LMNATP53ALDH1A1CA1
SCHEMBL7665305 0.72 P2RX7 (0.83) P2RX7
SCHEMBL7658512 0.72 P2RX7 (0.54) P2RX7LMNATP53SMN1; SMN2ALDH1A1
SCHEMBL6485285 0.71 P2RX7 (0.53) P2RX7LMNATP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207577-A1 Mixture of a P2X7 (purinergic) receptor antagonist, and a corticosteroid; 1-adamantylalkylamide derivatives with benzyl or pyridyl group; respiratory system disorders, chronic obstructive pulmonary disease; antiasthmatics; formoterol, budesonide; kits ASTRAZENECA AB (SE) 2008-08-28 US claimed
US-20070281931-A1 Pharmaceutical Composition Containing a P2x7 Receptor Antagonist and Methotrexate ASTRAZENECA AB (SE) 2007-12-06 US claimed
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug ASTRAZENECA AB (SE) 2007-04-12 US claimed
JP-2007505900-A 2007-03-15 JP claimed
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha ASTRAZENECA AB (SE) 2007-02-08 US claimed
WO-2007008157-A1 NEW COMBINATION 2 ASTRAZENECA AB (SE) 2007-01-18 WO claimed
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine ASTRAZENECA AB (SE) 2007-01-11 US claimed
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US claimed
EP-1663224-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG AstraZeneca AB (SE) 2006-06-07 EP claimed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP claimed
EP-1644041-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE AstraZeneca AB (SE) 2006-04-12 EP claimed
WO-2005025571-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG. ASTRAZENECA AB (SE) 2005-03-24 WO claimed
WO-2004105797-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
EP-3402469-B1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INST NAT SANTE RECH MED (FR) 2021-01-06 EP disclosed
US-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) INSERM (Institut National de la Santé et de la Recherche Médicale (FR) 2020-02-04 US disclosed
US-20190022223-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INSERM (INSTITUT NATIONAL DE LA SANTÉ ET LA SANTÉ ET DE LA RECHERCHE MÉDICALE) (FR) 2019-01-24 US disclosed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004073704-A1 NEW COMBINATION ASTRAZENECA AB (SE) 2004-09-02 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 (8 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-20070281931-A1 Pharmaceutical Composition Containing a P2x7 Receptor Antagonist and Methotrexate P2RX7, P2RY1, P2RX5 P2RX7 1/4885CHRM3 875/4885LMNA 2260/4885
US-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) P2RX7, P2RX1, P2RX5 P2RX7 1/4885CHRM3 552/4885LMNA 2362/4885
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine P2RX7, P2RX5, P2RX2 P2RX7 1/4885CHRM3 1480/4885LMNA 3348/4885
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug P2RX7, P2RX3, P2RX5 P2RX7 1/4885CHRM3 752/4885LMNA 1586/4885
US-20060247257-A1 Combination P2RX7, PCSK9, P2RX1 P2RX7 1/4885CHRM3 3011/4885LMNA 226/4885
US-20080207577-A1 Mixture of a P2X7 (purinergic) receptor antagonist, and a corticosteroid; 1-adamantylalkylamide derivatives with benzyl or pyridyl group; respiratory system disorders, chronic obstructive pulmonary disease; antiasthmatics; formoterol, budesonide; kits P2RY1, P2RX3, P2RX7 P2RX7 3/4885CHRM3 22/4885LMNA 2212/4885
US-20190022223-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) P2RX7, P2RX1, P2RX5 P2RX7 1/4885CHRM3 552/4885LMNA 2362/4885
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha P2RX7, P2RX1, P2RX5 P2RX7 1/4885CHRM3 1219/4885LMNA 1484/4885

“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.