SCHEMBL3377215

SCHEMBL3377215

O=CNCC1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
CXCR4 P61073 2/20 0.33
CHEK1 O14757 1/20 0.33
RPS6KB1 P23443 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
SCN1A P35498 2/20 0.30
SCN8A Q9UQD0 2/20 0.30
ACHE P22303 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30

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
SCHEMBL3376557 0.85 HRH3 (0.38) HRH3CXCR4CHEK1RPS6KB1FLT4
SCHEMBL3376555 0.85 HRH3 (0.38) HRH3CXCR4CHEK1RPS6KB1FLT4
SCHEMBL3378456 0.83 HRH3 (0.39) HRH3CXCR4KDM4EALDH1A1POLB
SCHEMBL3378836 0.81 KDM4E (0.43) CXCR4KDM4EALDH1A1POLBTDP1
SCHEMBL3377216 0.81 HRH3 (0.39) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3379715 0.81 POLB (0.36) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3379713 0.81 POLB (0.36) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3377529 0.80 RORC (0.33) CXCR4KDM4EALDH1A1POLBACHE
SCHEMBL3442077 0.79 CXCR4 (0.34) HRH3CXCR4CHEK1RPS6KB1FLT4
SCHEMBL3379717 0.78 KDM4E (0.37) HRH3CHEK1RPS6KB1FLT4FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885CXCR4 397/4885CHEK1 2803/4885

“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.