SCHEMBL6322196

SCHEMBL6322196

Cc1ccccc1-c1ccnc(OC[C@H]2C[C@@H](c3ccc(N4CCCC4)cc3C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
CDK1 P06493 2/20 0.34
MAP4K1 Q92918 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP11B2 P19099 2/20 0.33
MCHR1 Q99705 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
GRM5 P41594 1/20 0.32
CCNB1 P14635 1/20 0.32
FLT3 P36888 1/20 0.32
PROKR1 Q8TCW9 1/20 0.31
PSMD14 O00487 1/20 0.31
USP2 O75604 1/20 0.31
MMP2 P08253 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 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
SCHEMBL6322205 1.00 HRH3 (0.37) HRH3CDK1MAP4K1SUV39H2SIGMAR1
SCHEMBL5786825 0.77 HRH3 (0.67) HRH3SMYD2
SCHEMBL5786823 0.77 HRH3 (0.67) HRH3SMYD2
SCHEMBL6322607 0.75 RXRA (0.40) HRH3SIGMAR1PSMD14USP2MMP2
SCHEMBL6324377 0.72 CYP1A2 (0.39) HRH3SIGMAR1USP2
SCHEMBL6324373 0.72 CYP1A2 (0.39) HRH3SIGMAR1USP2
SCHEMBL6327797 0.71 FEN1 (0.36) CDK1SUV39H2HTR1ACCNB1MRGPRX4
SCHEMBL6330742 0.67 HPGD (0.39) SIGMAR1MRGPRX4PRMT6MEN1KMT2A
SCHEMBL6329235 0.65 GAA (0.49) SIGMAR1HTR1AMEN1KMT2A
SCHEMBL6329232 0.65 GAA (0.49) SIGMAR1HTR1AMEN1KMT2A

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 claimed

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 HRH3 1/4885CDK1 3456/4885MAP4K1 3802/4885

“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.