SCHEMBL16396865

SCHEMBL16396865

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(OCC2CC2)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.35
▸ CFD P00746 4/20 0.35
▸ F11 P03951 4/20 0.35
▸ KLKB1 P03952 4/20 0.35
▸ USP30 Q70CQ3 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ SLC16A3 O15427 1/20 0.32
▸ SLC16A1 P53985 1/20 0.32
▸ MCTS1 Q9ULC4 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL16397857 0.89 MAPT (0.37) —
SCHEMBL16397856 0.89 MAPT (0.37) —
SCHEMBL16396483 0.89 CFD (0.40) CFDF11KLKB1FFAR1
SCHEMBL16396471 0.89 AAK1 (0.37) AAK1CFDF11KLKB1MTNR1A
SCHEMBL16410305 0.86 AAK1 (0.35) AAK1CFDF11KLKB1USP30
SCHEMBL16410393 0.84 CFD (0.41) AAK1CFDF11KLKB1MTNR1A
SCHEMBL16396123 0.83 AAK1 (0.40) AAK1CFDF11KLKB1MTNR1A
SCHEMBL16410271 0.83 CFD (0.34) AAK1CFDF11KLKB1USP30
SCHEMBL16396352 0.82 RIPK1 (0.41) RIPK1CFDF11KLKB1ACACA
SCHEMBL16397485 0.82 CFD (0.41) AAK1CFDF11KLKB1MTNR1A

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — 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 (1 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB RIPK1 4791/4885AAK1 3561/4885CFD 1/4885

“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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