SCHEMBL3377345

SCHEMBL3377345

Oc1cccc(CN2CCCC2)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 5/20 0.54
HRH3 Q9Y5N1 1/20 0.50
POLB P06746 1/20 0.49
ACHE P22303 3/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
BRD4 O60885 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL6803849 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHRH3POLBCYP2C19
SCHEMBL10415354 0.81 MPO (0.84) MPOALDH1A1KDM4EHRH3ACHE
SCHEMBL28290127 0.80 MPO (0.58) MPOALDH1A1KDM4EHRH3POLB
SCHEMBL30341108 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EHRH3POLBCYP2C19
SCHEMBL7946364 0.79 MPO (0.81) MPOALDH1A1KDM4EHRH3POLB
SCHEMBL30275949 0.79 KDM4E (0.56) MPOALDH1A1KDM4EHRH3POLB
SCHEMBL3378848 0.79 KDM4E (0.67) MPOALDH1A1KDM4EHRH3POLB
SCHEMBL247774 0.79 ALDH1A1 (0.56) MPOALDH1A1KDM4EHRH3POLB
SCHEMBL19634159 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL8264510 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBACHESMN1; SMN2

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 MPO 957/4885ALDH1A1 923/4885KDM4E 3381/4885

“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.