SCHEMBL4929900

SCHEMBL4929900

C[C@@H]1CN(C(=O)OC(C)(C)C)CCc2ccc(C=Cc3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
GPR119 Q8TDV5 1/20 0.40
MAPK1 P28482 2/20 0.39
USP30 Q70CQ3 4/20 0.39
RORC P51449 2/20 0.39
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL17462490 0.87 ESR2 (0.48) HDAC1ESR2NR1H2GPR119MAPK1
SCHEMBL17462494 0.86 ESR2 (0.47) HDAC1ESR2NR1H2GPR119MAPK1
SCHEMBL5443655 0.84 USP30 (0.50) ESR2NR1H2GPR119USP30
SCHEMBL4937581 0.82 ESR2 (0.46) ESR2NR1H2GPR119MAPK1USP30
SCHEMBL4936403 0.82 ESR2 (0.46) ESR2NR1H2GPR119MAPK1USP30
SCHEMBL30468454 0.82 ABHD6 (0.50) ESR2NR1H2GPR119MAPK1USP30
SCHEMBL4937603 0.81 ESR2 (0.49) ESR2NR1H2GPR119MAPK1USP30
SCHEMBL5446560 0.81 ESR2 (0.64) ESR2NR1H2GPR119MAPK1PRMT5
SCHEMBL5446908 0.81 ESR2 (0.64) ESR2NR1H2GPR119MAPK1PRMT5
SCHEMBL5446905 0.81 ESR2 (0.64) ESR2NR1H2GPR119MAPK1PRMT5

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 1 patent. 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

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 HDAC1 409/4885ESR2 456/4885NR1H2 399/4885

“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.