SCHEMBL5223353

SCHEMBL5223353

Cc1nc(-c2ccc(-c3ccc(CN4CCN5CCC4CC5)cc3)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
KCNH2 Q12809 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MITF O75030 1/20 0.40
DRD2 P14416 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL5221713 0.77 SPHK1 (0.66) SPHK2SPHK1KCNH2GPR119SMN1; SMN2
SCHEMBL5221700 0.77 SPHK1 (0.66) SPHK2SPHK1KCNH2GPR119SMN1; SMN2
SCHEMBL5225958 0.77 SMN1; SMN2 (0.59) KCNH2GPR119SMN1; SMN2RAB9ALMNA
SCHEMBL3985158 0.76 SIGMAR1 (0.48) KCNH2SIGMAR1
SCHEMBL3991324 0.76 SIGMAR1 (0.51) SMN1; SMN2ALDH1A1DRD2MAOBSIGMAR1
SCHEMBL5225149 0.76 SMN1; SMN2 (0.61) KCNH2SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL5228387 0.75 RAB9A (0.51) KCNH2GPR119SMN1; SMN2RAB9ALMNA
SCHEMBL5928064 0.75 KCNH2 (0.46) SPHK2SPHK1KCNH2GPR119SMN1; SMN2
SCHEMBL5223511 0.75 SPHK2 (0.47) SPHK2SPHK1SMN1; SMN2
SCHEMBL5224224 0.75 SPHK2 (0.47) SPHK2SPHK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 US claimed
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP disclosed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 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-20060019998-A1 Histamine-3 receptor antagonist HRH3, HRH4, HRH2 SPHK2 1144/4885SPHK1 943/4885KCNH2 909/4885

“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.