SCHEMBL4852479

SCHEMBL4852479

Cn1cc(Br)c(-c2cccc(N(C(=O)c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LIPE Q05469 2/20 0.38
ABL1 P00519 2/20 0.37
GCGR P47871 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL7097264 0.85 ALDH1A1 (0.45) HTR2AHTR2CALDH1A1L3MBTL1MAPT
SCHEMBL2959406 0.79 NPC1 (0.56) HTR2AHTR2CALDH1A1L3MBTL1ABL1
SCHEMBL2952936 0.78 ALDH1A1 (0.52) HTR2AHTR2CALDH1A1L3MBTL1LIPE
SCHEMBL2956291 0.76 HTR2A (0.67) HTR2AHTR2CALDH1A1L3MBTL1ABL1
SCHEMBL4850458 0.75 ALDH1A1 (0.41) HTR2AHTR2CALDH1A1L3MBTL1MAPT
SCHEMBL6601831 0.74 HTR2A (0.39) HTR2AHTR2CALDH1A1L3MBTL1ABL1
SCHEMBL2954162 0.73 ALDH1A1 (0.59) HTR2AALDH1A1L3MBTL1MAPT
SCHEMBL7153301 0.72 HTR2A (0.54) HTR2AALDH1A1L3MBTL1RAB9A
SCHEMBL8169266 0.67 PTGDR2 (0.46) HTR2AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3102713 0.66 L3MBTL1 (0.52) ALDH1A1L3MBTL1IRAK4

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-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 US disclosed
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 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-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A HTR2A 1/4885HTR2C 4/4885ALDH1A1 3499/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A HTR2A 1/4885HTR2C 6/4885ALDH1A1 3419/4885

“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.