SCHEMBL3381072

SCHEMBL3381072

COc1cc(CN2CCCC2)cc(Cl)c1O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.77
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 5/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MELK Q14680 1/20 0.48

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
SCHEMBL6568587 0.82 POLB (0.62) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL6131781 0.82 KDM4E (0.69) GAAPOLBKMT2AKDM4EMAPT
SCHEMBL9734162 0.80 GAA (0.79) GAAPOLBHSD17B10KDM4EMAPT
SCHEMBL10899727 0.78 GAA (0.71) GAAPOLBKDM4EMAPTRAB9A
SCHEMBL9832407 0.77 KDM4E (0.81) GAAPOLBMEN1KMT2AHSD17B10
SCHEMBL9734499 0.77 GAA (0.69) GAAPOLBMEN1KMT2AHSD17B10
SCHEMBL16884170 0.76 POLB (0.82) GAAPOLBMEN1KMT2AHSD17B10
SCHEMBL4145811 0.75 GAA (0.70) GAAPOLBKDM4EMAPTRAB9A
SCHEMBL4825263 0.75 TRPV1 (0.49) GAAPOLBMEN1KMT2AHSD17B10
SCHEMBL3377350 0.75 GAA (0.67) GAAKDM4EMAPTALDH1A1TDP1

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 GAA 198/4885POLB 1820/4885MEN1 2959/4885

“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.