SCHEMBL3280211

SCHEMBL3280211

O=CC1CCN(N2CCc3ccccc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KEAP1 Q14145 1/20 0.40
SLC18A3 Q16572 1/20 0.40
NOTUM Q6P988 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1338448 0.76 PLAU (0.46)
SCHEMBL30444390 0.72 SLC18A3 (0.47) MAOAMAOBKMT2AMEN1MAPT
SCHEMBL4271101 0.72 SLC18A3 (0.47) MAOAMAOBKMT2AMEN1MAPT
SCHEMBL29447885 0.67 PLAU (0.52) MAOAMAOB
SCHEMBL691836 0.67 PLAU (0.52) MAOAMAOB
SCHEMBL13929740 0.67 PLAU (0.52) MAOAMAOB
SCHEMBL56072 0.67 MAOA (0.54) MAOAMAOBKMT2AMEN1MAPT
SCHEMBL29501453 0.67 SLC18A3 (0.49) MAOAMAOBKMT2AKEAP1SLC18A3
SCHEMBL2240961 0.65 ALDH1A1 (0.34)
SCHEMBL3834171 0.65 MAOA (0.50) MAOAMAOBKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700794-B2 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-04-20 US disclosed
US-20050096478-A1 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH 2005-05-05 US disclosed
US-6825043-B1 FOR DRUG SCREENING/CATALYST DESIGN UNIVERSITY OF PITTSBURGH 2004-11-30 US disclosed
EP-1280765-A2 FLUOROUS TAGGING COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH (US) 2003-02-05 EP disclosed
WO-2001085675-A2 FLUOROUS TAGGING COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH (US) 2001-11-15 WO 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-20050096478-A1 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds AFF1, AFF2, AFF4 MAOA 2205/4885MAOB 1734/4885KMT2A 992/4885

“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.