SCHEMBL3377487

SCHEMBL3377487

COc1cc(OC2CC(CN3CCOCC3)C2)ccc1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 2/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KCNJ1 P48048 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 1/20 0.40
ACHE P22303 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3377493 1.00 MCHR1 (0.51) MCHR1KCNH2HRH3KDM4EMAPK1
SCHEMBL3378839 0.92 KDM4E (0.48) MCHR1KCNH2HRH3KDM4EKMT2A
Hydrochloric Acid SCHEMBL3376115 0.91 KDM4E (0.47) MCHR1KCNH2HRH3KDM4EKMT2A
Hydrochloric Acid SCHEMBL3376118 0.91 KDM4E (0.47) MCHR1KCNH2HRH3KDM4EKMT2A
SCHEMBL3377506 0.87 HRH3 (0.47) MCHR1KCNH2HRH3KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3374796 0.86 HRH3 (0.46) MCHR1KCNH2HRH3KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3374789 0.86 HRH3 (0.46) MCHR1KCNH2HRH3KMT2ASMN1; SMN2
SCHEMBL3378537 0.85 KDM4E (0.45) HRH3KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL3376826 0.85 CYP2A13 (0.51) KCNH2HRH3KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3374989 0.84 KDM4E (0.47) HRH3KDM4ETDP1LMNA

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 MCHR1 312/4885KCNH2 877/4885HRH3 1/4885

“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.