SCHEMBL3379633

SCHEMBL3379633

Cc1ncccc1C(=O)NCC1CC(Oc2ccc(CN3CCCC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
MCHR1 Q99705 4/20 0.43
CCR3 P51677 2/20 0.42
ACKR3 P25106 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 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
SCHEMBL3376263 0.83 KCNH2 (0.41) KCNH2MCHR1LMNAHRH3MEN1
SCHEMBL3380119 0.82 ADRB2 (0.45) KCNH2MCHR1ACKR3HRH3MEN1
SCHEMBL3376165 0.81 CACNA1I (0.52) KCNH2MCHR1LMNAKMT2AMAPT
SCHEMBL3378855 0.81 HRH3 (0.48) KCNH2MCHR1HRH3MEN1ADRB2
SCHEMBL3376675 0.81 HRH3 (0.51) KCNH2MCHR1CCR3HRH3MEN1
SCHEMBL3378858 0.81 HRH3 (0.48) KCNH2MCHR1HRH3MEN1ADRB2
SCHEMBL3376794 0.81 ADRB2 (0.48) KCNH2MCHR1HRH3MEN1ADRB2
SCHEMBL3376509 0.79 SIGMAR1 (0.52) KCNH2MCHR1KMT2A
SCHEMBL3377442 0.78 ADRB2 (0.49) KCNH2MCHR1HRH3MEN1ADRB2
SCHEMBL3378373 0.77 HRH3 (0.53) KCNH2MCHR1HRH3MEN1ADRB2

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 KCNH2 877/4885MCHR1 312/4885CCR3 333/4885

“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.