SCHEMBL3380077

SCHEMBL3380077

NC(=O)OC[C@H]1C[C@H](Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
DCPS Q96C86 1/20 0.36
KCNH2 Q12809 2/20 0.35
OPRK1 P41145 1/20 0.35
PTPN11 Q06124 1/20 0.35
CXCR4 P61073 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL3380076 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3378841 0.87 KDM4E (0.44) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3376159 0.84 KDM4E (0.49) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3377597 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3376162 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBP2RX7KMT2A
Hydrochloric Acid SCHEMBL3378548 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBP2RX7KMT2A
Hydrochloric Acid SCHEMBL3378545 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3378887 0.81 KMT2A (0.40) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3378885 0.81 KMT2A (0.40) ALDH1A1KDM4EPOLBP2RX7KMT2A
SCHEMBL3378894 0.79 P2RX7 (0.43) ALDH1A1KDM4EPOLBP2RX7KMT2A

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 ALDH1A1 923/4885KDM4E 3381/4885POLB 1820/4885

“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.