SCHEMBL19742789

SCHEMBL19742789

COc1ccc(CCNC(=O)OC(C)(C)C)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
BCHE P06276 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.56
POLB P06746 1/20 0.56
ABCB1 P08183 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMPD1 P17405 1/20 0.52

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
SCHEMBL30517507 0.94 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL25300742 0.94 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL31432851 0.87 CA12 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL903446 0.87 CA12 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL23684827 0.87 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL4458132 0.87 FFAR1 (0.60) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL17821665 0.86 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL13139208 0.85 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL92218 0.84 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL14078228 0.84 BCHE (0.62) MTNR1AMTNR1BALDH1A1KMT2ABCHE

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MTNR1A 4263/4885MTNR1B 3891/4885ALDH1A1 3748/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT MTNR1A 4263/4885MTNR1B 3891/4885ALDH1A1 3748/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MTNR1A 4263/4885MTNR1B 3891/4885ALDH1A1 3748/4885

“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.