SCHEMBL2581206

SCHEMBL2581206

O=C1CN[C@@H](c2ccc(F)c(F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNB2 P17787 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ABCC9 O60706 3/20 0.33
ABCC8 Q09428 3/20 0.33
KCNJ11 Q14654 3/20 0.33
KCNJ8 Q15842 3/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL2577948 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL29330391 0.83 KDM1A (0.38) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL2708172 0.83 KDM1A (0.38) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL20119393 0.75 KDM1A (0.42) HTR2AHTR2CKDM1ACHRNB2CHRNB4
SCHEMBL24365538 0.74 CHRNB2 (0.33) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL29081504 0.74 CHRNB2 (0.33) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL29081502 0.74 CHRNB2 (0.33) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL19580516 0.72 HTR2C (0.42) HTR2CKDM1APRCP
SCHEMBL6140740 0.72 PRCP (0.60) PRCPDDB1CRBN
SCHEMBL172513 0.72 KDM1A (0.45) HTR2AHTR2CHTR2BKDM1AMAOB

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
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 HTR2A 884/4885HTR2C 2035/4885HTR2B 1336/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 HTR2A 884/4885HTR2C 2035/4885HTR2B 1336/4885

“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.