SCHEMBL6327797

SCHEMBL6327797

Cc1cc(N2CCCC2)ccc1C1CC(COc2ncc(F)c(C3CCNCC3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.36
MELK Q14680 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SLC9A1 P19634 2/20 0.32
CCNT1 O60563 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
CCNH P51946 2/20 0.32
KCNH2 Q12809 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA1 P78396 1/20 0.32
ALK Q9UM73 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.32
ADRB1 P08588 1/20 0.32

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 0.77 RXRA (0.40) RXRAGRIN1GRIN2B
SCHEMBL5789406 0.75 HRH3 (0.58) KCNH2HTR1A
SCHEMBL6322205 0.71 HRH3 (0.37) CDK1CCNB1SUV39H2HTR1AMRGPRX4
SCHEMBL6322196 0.71 HRH3 (0.37) CDK1CCNB1SUV39H2HTR1AMRGPRX4
SCHEMBL6324373 0.71 CYP1A2 (0.39)
SCHEMBL6324377 0.71 CYP1A2 (0.39)
SCHEMBL5785314 0.70 HRH3 (0.58) KCNH2
SCHEMBL5785313 0.70 HRH3 (0.58) KCNH2
SCHEMBL6321430 0.68 SIGMAR1 (0.37) HTR1A
SCHEMBL5785439 0.65 HRH3 (0.56) KCNH2

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 FEN1 3731/4885MELK 3668/4885RXRA 1945/4885

“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.