SCHEMBL3336700

SCHEMBL3336700

CC(Cl)[CH]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
MAOB P27338 1/20 0.38
CYP2A6 P11509 1/20 0.38
AHR P35869 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHAT P28329 1/20 0.34
RELA Q04206 1/20 0.33
AKR1C3 P42330 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
SCHEMBL315078 0.78 HTR2A (0.41) HTR2AALDH1A1TSHRMAOBCYP2A6
SCHEMBL28039489 0.78 TSHR (0.41) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL10822902 0.77 CYP2A6 (0.44) MAOBCYP2A6L3MBTL1RELA
SCHEMBL27437505 0.77 CYP3A4 (0.38) HTR2AALDH1A1TSHRAHRLMNA
SCHEMBL27633315 0.76 HTR2A (0.40) HTR2AALDH1A1TSHRMAOBCYP2A6
SCHEMBL5165697 0.75 MAOB (0.46) HTR2AMAOBAHRLMNACHAT
SCHEMBL10574618 0.75 MAOB (0.46) HTR2AMAOBAHRLMNACHAT
SCHEMBL3335734 0.75 CHRM5 (0.50) MAOBCHATRELA
SCHEMBL7572963 0.74 HTR2A (0.48) HTR2AALDH1A1CYP2A6LMNA
SCHEMBL8704500 0.74 HTR2A (0.39) HTR2AALDH1A1TSHRMAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD HTR2A 334/4885ALDH1A1 2503/4885TSHR 414/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD HTR2A 334/4885ALDH1A1 2503/4885TSHR 414/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD HTR2A 334/4885ALDH1A1 2503/4885TSHR 414/4885

“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.