SCHEMBL6322611

SCHEMBL6322611

CCc1cnc(OCC2CC(c3ccc(N4CCCC4)cc3C)C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.40
GRIN1 Q05586 16/20 0.40
GRIN2B Q13224 16/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PSMD14 O00487 1/20 0.34
USP2 O75604 1/20 0.34
MMP2 P08253 1/20 0.34
ACACB O00763 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL6322607 1.00 RXRA (0.40) RXRAGRIN1GRIN2BHRH3PSMD14
SCHEMBL6324373 0.81 CYP1A2 (0.39) HRH3USP2SIGMAR1
SCHEMBL6324377 0.81 CYP1A2 (0.39) HRH3USP2SIGMAR1
SCHEMBL6327797 0.77 FEN1 (0.36) RXRAGRIN1GRIN2B
SCHEMBL6322205 0.75 HRH3 (0.37) HRH3PSMD14USP2MMP2SIGMAR1
SCHEMBL6322196 0.75 HRH3 (0.37) HRH3PSMD14USP2MMP2SIGMAR1
SCHEMBL6330742 0.72 HPGD (0.39) SIGMAR1
SCHEMBL6329235 0.71 GAA (0.49) SIGMAR1
SCHEMBL6329232 0.71 GAA (0.49) SIGMAR1
SCHEMBL5785899 0.71 HRH3 (0.74) HRH3

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 2 patents. 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
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 RXRA 1945/4885GRIN1 216/4885GRIN2B 26/4885

“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.