SCHEMBL20133408

SCHEMBL20133408

CCc1cc(F)cc(O[C@H](C)CNC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.35
▸ ADRB1 P08588 4/20 0.35
▸ ADRB3 P13945 4/20 0.35
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ PTGS1 P23219 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31

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
SCHEMBL21025855 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP4F2CYP4A11
SCHEMBL20330026 0.86 SLC6A4 (0.33) CYP4F2CYP4A11SLC6A2
SCHEMBL21421631 0.86 SLC6A4 (0.33) CYP4F2CYP4A11SLC6A2
SCHEMBL21907822 0.86 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL20330464 0.82 GCK (0.32) CYP4F2CYP4A11
SCHEMBL20324945 0.82 IAPP (0.36) ADRB2ADRB1ADRB3CYP4F2CYP4A11
SCHEMBL20326096 0.82 IAPP (0.36) ADRB2ADRB1ADRB3CYP4F2CYP4A11
SCHEMBL21673566 0.81 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL20324946 0.81 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL20046523 0.80 CYP4F2 (0.30) CYP4F2CYP4A11

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-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 — — US disclosed
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 — — US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 — — US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 — — 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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN ADRB2 4182/4885ADRB1 4656/4885ADRB3 4546/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL ADRB2 4600/4885ADRB1 4691/4885ADRB3 4725/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 ADRB2 4584/4885ADRB1 4547/4885ADRB3 4582/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL ADRB2 4600/4885ADRB1 4691/4885ADRB3 4725/4885

“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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