SCHEMBL17822008

SCHEMBL17822008

COc1cc2c(cc1OCc1ccccc1)CCN(C(=O)O)C2CS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.48
GRIN2C Q14957 1/20 0.46
MTNR1A P48039 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPT P10636 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL20909399 0.92 MTNR1B (0.47) MTNR1BGRIN2CMTNR1AMEN1KMT2A
SCHEMBL17821679 0.91 MTNR1B (0.46) MTNR1BGRIN2CMTNR1AMEN1KMT2A
SCHEMBL20909487 0.89 MTNR1B (0.44) MTNR1BGRIN2CMTNR1AMEN1KMT2A
SCHEMBL17821591 0.85 MTNR1B (0.49) MTNR1BGRIN2CMEN1KMT2ALMNA
SCHEMBL17864820 0.81 MTNR1B (0.45) MTNR1BGRIN2CMTNR1AMEN1KMT2A
SCHEMBL17821870 0.80 MTNR1B (0.60) MTNR1BGRIN2CLMNATP53MAPT
SCHEMBL17864731 0.80 KCNN2 (0.44) MTNR1BGRIN2CKMT2ALMNATP53
SCHEMBL17821589 0.79 CHRNA7 (0.44) MTNR1BMTNR1ALMNATP53PDE4D
SCHEMBL17821818 0.79 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2ALMNA
SCHEMBL20705812 0.76 MTNR1B (0.45) MTNR1BGRIN2CMTNR1AMEN1KMT2A

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 6 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-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 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 (4 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 3891/4885GRIN2C 2953/4885MTNR1A 4263/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT MTNR1B 3891/4885GRIN2C 2953/4885MTNR1A 4263/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 MTNR1B 4618/4885GRIN2C 3604/4885MTNR1A 4744/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MTNR1B 3891/4885GRIN2C 2953/4885MTNR1A 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.