SCHEMBL4936403

SCHEMBL4936403

C[C@@H]1CN(C(=O)OC(C)(C)C)CCc2ccc(C(=O)c3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
USP30 Q70CQ3 5/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GPR119 Q8TDV5 1/20 0.41
BTK Q06187 1/20 0.40
MAPK1 P28482 1/20 0.40
RORC P51449 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4937581 1.00 ESR2 (0.46) ESR2NR1H2USP30KDM4EPKM
SCHEMBL4937603 0.89 ESR2 (0.49) ESR2NR1H2USP30KDM4EPKM
SCHEMBL5443655 0.85 USP30 (0.50) ESR2NR1H2USP30GPR119
SCHEMBL30468454 0.83 ABHD6 (0.50) ESR2NR1H2USP30GPR119MAPK1
SCHEMBL4929900 0.82 HDAC1 (0.45) ESR2NR1H2USP30KDM4EMEN1
SCHEMBL5446560 0.82 ESR2 (0.64) ESR2NR1H2GPR119MAPK1PRMT5
SCHEMBL5446905 0.82 ESR2 (0.64) ESR2NR1H2GPR119MAPK1PRMT5
SCHEMBL5446908 0.82 ESR2 (0.64) ESR2NR1H2GPR119MAPK1PRMT5
SCHEMBL6529211 0.81 GPR119 (0.45) ESR2NR1H2USP30MEN1KMT2A
SCHEMBL4933094 0.81 ESR2 (0.53) ESR2NR1H2MEN1KMT2A

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 2 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
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

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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B ESR2 456/4885NR1H2 399/4885USP30 3630/4885

“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.