SCHEMBL3377166

SCHEMBL3377166

NCCC1CC(Oc2cccc(CN3CCCC3)c2F)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
DCPS Q96C86 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PDE4B Q07343 1/20 0.34
ATM Q13315 1/20 0.34
PDE2A O00408 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL4643810 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3378815 0.83 MEN1 (0.41) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL3375004 0.82 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3377162 0.82 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3377790 0.82 MEN1 (0.41) KMT2AMEN1GRIN1GRIN2B
SCHEMBL4643805 0.81 CXCR4 (0.39) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL3378811 0.80 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3376162 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3377597 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3377782 0.77 MEN1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB

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 3381/4885SMN1; SMN2 2038/4885

“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.