SCHEMBL20909487

SCHEMBL20909487

CCC(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)c(OC)cc2C1CS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.44
MTNR1A P48039 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2C Q14957 1/20 0.42
PDE4D Q08499 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL17821679 0.94 MTNR1B (0.46) MTNR1BMTNR1AMEN1KMT2AGRIN2C
SCHEMBL20909399 0.91 MTNR1B (0.47) MTNR1BMTNR1AMEN1KMT2AGRIN2C
SCHEMBL17822008 0.89 MTNR1B (0.48) MTNR1BMTNR1AMEN1KMT2AGRIN2C
SCHEMBL17864820 0.86 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2AGRIN2C
SCHEMBL17821818 0.81 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2ALMNA
SCHEMBL20705812 0.80 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2AGRIN2C
SCHEMBL17864800 0.80 MTNR1B (0.43) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17864742 0.78 MTNR1B (0.43) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17864731 0.76 KCNN2 (0.44) MTNR1BKMT2AGRIN2CCYP2D6LMNA
SCHEMBL17821736 0.75 MTNR1B (0.55) MTNR1BMTNR1AMEN1KMT2AGRIN2C

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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MTNR1B 3891/4885MTNR1A 4263/4885MEN1 3715/4885

“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.