SCHEMBL3378431

SCHEMBL3378431

CN(C[C@H]1C[C@H](Oc2cc(F)c(CN3CCCC3)c(F)c2)C1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
ADRB2 P07550 2/20 0.39
BCHE P06276 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CHKA P35790 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL3378426 1.00 HRH3 (0.39) HRH3ADRB2BCHEFFAR4KDM4E
SCHEMBL3380059 0.96 ADRB2 (0.39) HRH3ADRB2BCHEFFAR4KDM4E
SCHEMBL3375070 0.93 HRH3 (0.43) HRH3ADRB2BCHEKDM4EALDH1A1
SCHEMBL3375072 0.93 HRH3 (0.43) HRH3ADRB2BCHEKDM4EALDH1A1
SCHEMBL3380390 0.90 HRH3 (0.40) HRH3ADRB2BCHEFFAR4KDM4E
Hydrochloric Acid SCHEMBL3377488 0.86 HRH3 (0.36) HRH3ADRB2KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL3377484 0.86 HRH3 (0.36) HRH3ADRB2KDM4EALDH1A1MEN1
SCHEMBL3379213 0.85 KMT2A (0.36) HRH3ADRB2BCHEFFAR4KMT2A
Hydrochloric Acid SCHEMBL3378704 0.83 HRH3 (0.38) HRH3ADRB2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL3378709 0.83 HRH3 (0.38) HRH3ADRB2KDM4EMEN1KMT2A

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 HRH3 1/4885ADRB2 87/4885BCHE 385/4885

“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.