SCHEMBL5790904

SCHEMBL5790904

c1cc(C2CC(CN3CCCCC3)C2)ccc1CN1CCOCC1

nearest known ligand 0.97

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.97
HPGD P15428 1/20 0.48
LTA4H P09960 4/20 0.46
HRH4 Q9H3N8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KCNJ1 P48048 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5789522 0.99 HRH3 (1.00) HRH3HPGDLTA4HHRH4SMN1; SMN2
SCHEMBL2742866 0.99 HRH3 (1.00) HRH3HPGDLTA4HHRH4SMN1; SMN2
SCHEMBL2742717 0.99 HRH3 (1.00) HRH3HPGDLTA4HHRH4SMN1; SMN2
SCHEMBL5786988 0.92 HRH3 (0.81) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5786990 0.92 HRH3 (0.81) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5787008 0.92 HRH3 (0.81) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5790297 0.92 HRH3 (0.81) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5787473 0.90 HRH3 (0.83) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5790365 0.90 HRH3 (0.83) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5788544 0.90 HRH3 (0.83) HRH3HRH4SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720847-A1 HISTAMINE-3 RECEPTOR MODULATORS Pfizer Products Incorporated (US) 2006-11-15 EP claimed
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US claimed
WO-2005080361-A1 HISTAMINE-3 RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed
US-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 US claimed
EP-1720847-A1 HISTAMINE-3 RECEPTOR MODULATORS Pfizer Products Incorporated (US) 2006-11-15 EP disclosed
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US disclosed
WO-2005080361-A1 HISTAMINE-3 RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
US-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker HRH3, HRH4, HRH1 HRH3 1/4885HPGD 821/4885LTA4H 329/4885

“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.