SCHEMBL6631310

SCHEMBL6631310

COc1cc2c(cc1C#N)C(C)(C(=O)C(F)(F)F)CNCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.35
HTR2A P28223 5/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.31
KDM1A O60341 1/20 0.31
LMNA P02545 1/20 0.31
STING1 Q86WV6 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
CHEK1 O14757 1/20 0.31
RORC P51449 1/20 0.30
MAPK10 P53779 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL2365641 0.84 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL6532681 0.84 HTR2C (0.49) HTR2AHTR2CHTR2B
SCHEMBL2365770 0.77 TNFRSF1A (0.37) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL6650634 0.73 ALDH1A1 (0.39) HTR2AHTR2CALDH1A1KDM4EMAPT
SCHEMBL2477900 0.72 HTR2A (0.58) HTR2AHTR2CHTR2BKDM1A
SCHEMBL2365632 0.71 ADRA2A (0.37)
SCHEMBL1907864 0.71 ADRA2A (0.37) HTR2AHTR2CLMNA
SCHEMBL2365900 0.70 HTR2A (0.51) HTR2AHTR2C
SCHEMBL2365801 0.68 HTR2C (0.46) HTR2AHTR2CHTR2BABHD6
SCHEMBL1095169 0.65 KMT2A (0.43) HTR2AHTR2CHTR2BMEN1KMT2A

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-8546379-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20130012495-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-01-10 US disclosed
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 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-20130012495-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A FGFR4 2406/4885HTR2A 2/4885HTR2C 1/4885

“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.