SCHEMBL6324501

SCHEMBL6324501

CCCN(CCOC)CC1CC(c2ccc(N3CCCC3)cc2C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
HPGD P15428 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL6324495 1.00 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6330742 0.78 HPGD (0.39) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6329264 0.76 SIGMAR1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6329260 0.76 SIGMAR1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6324367 0.76 HPGD (0.35) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5786447 0.71 HRH3 (0.50) MEN1KMT2AALDH1A1
SCHEMBL5786446 0.71 HRH3 (0.50) MEN1KMT2AALDH1A1
SCHEMBL6329232 0.71 GAA (0.49) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6329235 0.71 GAA (0.49) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6322607 0.69 RXRA (0.40) SIGMAR1PSMD14USP2MMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 US 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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker HRH3, HRH4, HRH1 MEN1 3182/4885KMT2A 2053/4885ALDH1A1 927/4885

“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.