SCHEMBL6329235

SCHEMBL6329235

CCN1CCN(CC2CC(c3ccc(N4CCCC4)cc3C)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
RAD52 P43351 3/20 0.49
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRNA7 P36544 1/20 0.37
HPGD P15428 1/20 0.36
KHK P50053 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 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
SCHEMBL6329232 1.00 GAA (0.49) GAARAD52MAPTSMN1; SMN2GFER
SCHEMBL6321430 0.81 SIGMAR1 (0.37) GAAMAPTKDM4ESIGMAR1HTR1A
SCHEMBL6330742 0.78 HPGD (0.39) GAARAD52MAPTSMN1; SMN2GFER
SCHEMBL6322742 0.78 HRH1 (0.43) MEN1LMNAKMT2AKCNH2
SCHEMBL6322746 0.78 HRH1 (0.43) MEN1LMNAKMT2AKCNH2
SCHEMBL6322581 0.78 KDM4E (0.44) MAPTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL6322573 0.78 KDM4E (0.44) MAPTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL6329264 0.74 SIGMAR1 (0.41) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL6329260 0.74 SIGMAR1 (0.41) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL6324367 0.73 HPGD (0.35) GAARAD52MAPTSMN1; SMN2KDM4E

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 GAA 173/4885RAD52 4378/4885MAPT 413/4885

“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.