SCHEMBL17864720

SCHEMBL17864720

COc1cc2c(cc1OCc1ccccc1)CCN(C(=O)OC(C)(C)C)C2CS(=O)(=O)C(=N)N(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.46
GHSR Q92847 5/20 0.44
MTNR1A P48039 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL17864749 0.87 MTNR1B (0.47) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17864845 0.85 MTNR1B (0.45) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17864794 0.85 MTNR1B (0.45) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17821736 0.82 MTNR1B (0.55) MTNR1BMTNR1AMEN1KMT2ALMNA
SCHEMBL12394508 0.80 MTNR1B (0.52) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17864748 0.79 MTNR1B (0.46) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17821679 0.78 MTNR1B (0.46) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17821749 0.78 GHSR (0.54) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17864800 0.77 MTNR1B (0.43) MTNR1BGHSRMTNR1AMEN1KMT2A
SCHEMBL17821818 0.77 MTNR1B (0.45) MTNR1BGHSRMTNR1AMEN1KMT2A

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 3 patents. 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
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 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 (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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MTNR1B 3891/4885GHSR 4858/4885MTNR1A 4263/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MTNR1B 3891/4885GHSR 4858/4885MTNR1A 4263/4885

“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.