SCHEMBL6324218

SCHEMBL6324218

C[C@@]1(N2CCCC2)CCCN1C[C@H]1C[C@H](c2ccc(CN3CCCC3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
HRH4 Q9H3N8 1/20 0.36
NCF1 P14598 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6324221 1.00 HRH3 (0.55) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL5787473 0.78 HRH3 (0.83) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL5790365 0.78 HRH3 (0.83) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL5788544 0.78 HRH3 (0.83) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL5787008 0.77 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL5790297 0.77 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL5786990 0.77 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL5786988 0.77 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL5790685 0.74 HRH3 (0.61) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL5790681 0.74 HRH3 (0.61) HRH3HRH4NCF1ALDH1A1KDM4E

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 HRH3 1/4885HRH4 2/4885NCF1 3830/4885

“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.