SCHEMBL20995813

SCHEMBL20995813

O=C(O)C=Cc1cc2c(cc1F)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.51
▸ ESR2 Q92731 5/20 0.51
▸ MIF P14174 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ABHD6 Q9BV23 5/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL20995812 1.00 ESR1 (0.51) ESR1ESR2MIFPKMMEN1
SCHEMBL31680147 0.83 ESR1 (0.47) ESR1ESR2PKMMEN1KMT2A
SCHEMBL19643712 0.83 ESR1 (0.47) ESR1ESR2PKMMEN1KMT2A
SCHEMBL19643709 0.78 ESR1 (0.46) ESR1ESR2PKMMEN1KMT2A
SCHEMBL25226305 0.77 ESR1 (0.58) ESR1ESR2PKMABHD6NPC1
SCHEMBL14991745 0.77 ESR1 (0.62) ESR1ESR2PKMABHD6HDAC8
SCHEMBL19643004 0.77 ESR1 (0.58) ESR1ESR2PKMABHD6HDAC8
SCHEMBL27427406 0.74 ESR2 (0.59) ESR1ESR2PKMABHD6HDAC8
SCHEMBL10067649 0.73 ESR2 (0.68) ESR1ESR2PKMABHD6HDAC8
SCHEMBL4171865 0.72 ESR1 (0.53) ESR1ESR2PKMABHD6RAB9A

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-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 — — US disclosed
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-11-05 — — US disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 — — 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-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR1 772/4885ESR2 365/4885MIF 2115/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 ESR1 697/4885ESR2 366/4885MIF 2431/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR1 697/4885ESR2 366/4885MIF 2431/4885

“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.

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