SCHEMBL5227166

SCHEMBL5227166

Cc1nc(-c2ccc(-c3ccc(CN4CCC[C@H]4CN4CCN(C)CC4)cc3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.52
SPHK2 Q9NRA0 2/20 0.52
KDM4E B2RXH2 1/20 0.45
CHKA P35790 1/20 0.41
CXCR1 P25024 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL5227257 0.90 SPHK1 (0.52) SPHK1SPHK2ALDH1A1LMNASMN1; SMN2
SCHEMBL5221713 0.81 SPHK1 (0.66) SPHK1SPHK2ALDH1A1LMNASMN1; SMN2
SCHEMBL5221700 0.81 SPHK1 (0.66) SPHK1SPHK2ALDH1A1LMNASMN1; SMN2
SCHEMBL5222060 0.76 KCNH2 (0.45) KDM4ECHKACXCR1ALDH1A1LMNA
SCHEMBL5222076 0.76 KCNH2 (0.45) KDM4ECHKACXCR1ALDH1A1LMNA
SCHEMBL5224224 0.75 SPHK2 (0.47) SPHK1SPHK2SMN1; SMN2
SCHEMBL5223518 0.75 SPHK2 (0.47) SPHK1SPHK2SMN1; SMN2
SCHEMBL5223511 0.75 SPHK2 (0.47) SPHK1SPHK2SMN1; SMN2
SCHEMBL5225958 0.75 SMN1; SMN2 (0.59) KDM4ECHKAALDH1A1LMNAMAPT
SCHEMBL5225149 0.74 SMN1; SMN2 (0.61) KDM4EALDH1A1LMNAMAPTTSHR

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
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 US claimed
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 SPHK1 943/4885SPHK2 1144/4885KDM4E 3277/4885

“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.