SCHEMBL4937824

SCHEMBL4937824

C[C@@H]1CN(C(=O)C(F)(F)F)CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.52
GRIN2B Q13224 9/20 0.52
HRH3 Q9Y5N1 1/20 0.51
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP7 P09237 3/20 0.48
MMP9 P14780 3/20 0.48
MMP12 P39900 3/20 0.48
MMP14 P50281 3/20 0.48
MMP15 P51511 3/20 0.48
MMP16 P51512 3/20 0.48
MMP26 Q9NRE1 3/20 0.48
GHSR Q92847 2/20 0.46

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
SCHEMBL1095655 0.83 HTR2A (0.56) GRIN1GRIN2B
SCHEMBL1095538 0.83 ESR1 (0.65)
SCHEMBL4937667 0.83 ESR1 (0.65)
SCHEMBL1095168 0.83 ESR1 (0.52)
SCHEMBL1095297 0.79 ESR2 (0.60) GRIN1GRIN2B
SCHEMBL4932882 0.79 ESR2 (0.60) GRIN1GRIN2B
SCHEMBL14282038 0.78 ABHD6 (0.55)
SCHEMBL5165131 0.78 GRIN1 (0.54) GRIN1GRIN2BHRH3MMP1MMP2
SCHEMBL5442726 0.77 GHSR (0.51) GRIN1GRIN2BHRH3GHSR
SCHEMBL5442721 0.77 GHSR (0.51) GRIN1GRIN2BHRH3GHSR

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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
WO-2005042490-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 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 (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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B GRIN1 159/4885GRIN2B 33/4885HRH3 120/4885
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases HTR2C, HTR2A, HTR2B GRIN1 153/4885GRIN2B 32/4885HRH3 122/4885

“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.