SCHEMBL6375438

SCHEMBL6375438

CS(=O)(=O)Nc1ccc(C(O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.60
ADRB2 P07550 8/20 0.54
ADRB1 P08588 8/20 0.54
ADRB3 P13945 8/20 0.54
KCNH2 Q12809 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
IGF1R P08069 4/20 0.47
GRIN2B Q13224 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL10561148 0.92 ADRB2 (0.62) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL10578945 0.90 SPHK1 (0.62) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL9224604 0.89 SPHK1 (0.51) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL10580782 0.88 SPHK1 (0.57) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL9513791 0.87 ADRB2 (0.51) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL10576426 0.86 ADRB2 (0.51) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL10577855 0.85 ADRB2 (0.49) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL10576581 0.84 IGF1R (0.46) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL10578956 0.83 SPHK1 (0.44) SPHK1ADRB2ADRB1ADRB3KCNH2
SCHEMBL2022249 0.82 KCNH2 (0.78) ADRB2ADRB1ADRB3KCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US claimed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 US disclosed
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 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 (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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 SPHK1 472/4885ADRB2 1593/4885ADRB1 2521/4885

“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.