SCHEMBL3377222

SCHEMBL3377222

NCCC1CC(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CSNK2A1 P68400 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CXCR4 P61073 1/20 0.32
RORC P51449 2/20 0.32
CYP2A13 Q16696 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
SOS1 Q07889 2/20 0.32
NPY1R P25929 1/20 0.31

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
SCHEMBL3377533 0.83 RORC (0.35) POLBSMN1; SMN2ALDH1A1KDM4ERORC
SCHEMBL3377214 0.83 NCF1 (0.37) POLBSMN1; SMN2ALDH1A1KDM4ECXCR4
SCHEMBL3377217 0.83 NCF1 (0.37) POLBSMN1; SMN2ALDH1A1KDM4ECXCR4
SCHEMBL3442334 0.82 RORC (0.37) ALDH1A1KDM4ERORCHRH3
SCHEMBL3377529 0.80 RORC (0.33) POLBSMN1; SMN2ALDH1A1KDM4ECXCR4
SCHEMBL3442077 0.79 CXCR4 (0.34) POLBSMN1; SMN2ALDH1A1CSNK2A1KDM4E
SCHEMBL3442332 0.78 HRH3 (0.45) SMN1; SMN2ALDH1A1KDM4ERORCHRH3
SCHEMBL3442329 0.78 HRH3 (0.45) SMN1; SMN2ALDH1A1KDM4ERORCHRH3
SCHEMBL3380494 0.77 RORC (0.38) POLBSMN1; SMN2ALDH1A1KDM4ERORC
SCHEMBL3378184 0.77 HRH3 (0.44) POLBALDH1A1KDM4ERORCHRH3

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 5 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 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 POLB 1820/4885SMN1; SMN2 2038/4885ALDH1A1 923/4885

“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.