SCHEMBL5553140

SCHEMBL5553140

CN1CCCCC1c1ccc(-c2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.59
CHRNA7 P36544 4/20 0.59
CHRNA4 P43681 4/20 0.59
ALDH1A1 P00352 4/20 0.54
ACHE P22303 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.53
RECQL P46063 1/20 0.53
CHRNB4 P30926 3/20 0.53
CHRNA3 P32297 3/20 0.53
CHRNA2 Q15822 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR3E A5X5Y0 1/20 0.53
PSIP1 O75475 1/20 0.53
TRPA1 O75762 1/20 0.53
HTR3B O95264 1/20 0.53
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL10079075 0.90 CHRNB2 (0.66) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL12090442 0.88 CHRNB2 (0.64) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL2606079 0.84 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL14235482 0.84 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL5549987 0.84 CHRNB2 (0.56) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL6450243 0.84 ALDH1A1 (0.73) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL5555153 0.83 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL15784021 0.81 CHRNB2 (0.56) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL5553562 0.79 ALDH1A1 (0.50) CHRNB2CHRNA7CHRNA4ALDH1A1ACHE
SCHEMBL13452380 0.78 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP disclosed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO disclosed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 CHRNB2 434/4885CHRNA7 161/4885CHRNA4 164/4885

“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.