SCHEMBL4367270

SCHEMBL4367270

CCN(CCCCCCN)Cc1cccc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.60
▸ BCHE P06276 5/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.51
▸ CALM1 P0DP23 1/20 0.51
▸ CAMKK2 Q96RR4 1/20 0.51
▸ ABCB1 P08183 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAOB P27338 2/20 0.49
▸ MAOA P21397 1/20 0.48
▸ AOC3 Q16853 1/20 0.47

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
SCHEMBL11454505 0.89 TAAR1 (0.57) ACHEBCHETAAR1CALM1CAMKK2
SCHEMBL4370569 0.83 MAOA (0.49) MAOBMAOA
SCHEMBL17475575 0.82 TSHR (0.65) ACHEBCHETAAR1CALM1CAMKK2
SCHEMBL6505515 0.81 BCHE (0.60) ACHEBCHECALM1CAMKK2TSHR
SCHEMBL27892765 0.81 CALM1 (0.64) TAAR1CALM1CAMKK2TSHRMAPK1
Bromide SCHEMBL21056122 0.81 TSHR (0.63) ACHEBCHETAAR1CALM1CAMKK2
Hydrochloric Acid SCHEMBL6500033 0.80 ACHE (0.54) ACHEBCHECALM1CAMKK2ABCB1
SCHEMBL14376701 0.80 CALM1 (0.56) ACHEBCHETAAR1CALM1CAMKK2
SCHEMBL8593830 0.80 TAAR1 (0.57) ACHEBCHETAAR1AOC3
SCHEMBL4369012 0.79 BCHE (0.58) ACHEBCHEMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 — — US disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 — — US disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 — — US disclosed
US-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2005-11-24 — — 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-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor PSEN2, BACE2, WEE2 ACHE 169/4885BCHE 77/4885TAAR1 2995/4885

“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.

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