SCHEMBL16396123

SCHEMBL16396123

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.40
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ CFD P00746 5/20 0.34
▸ F11 P03951 5/20 0.34
▸ KLKB1 P03952 4/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ TPSB2 P20231 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 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
SCHEMBL16410393 0.90 CFD (0.41) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16397485 0.87 CFD (0.41) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16396397 0.87 CFD (0.45) PTGER1CFDF11KLKB1TPSB2
SCHEMBL16396471 0.87 AAK1 (0.37) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16397858 0.85 AAK1 (0.38) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16396865 0.83 RIPK1 (0.36) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16410272 0.83 HDAC3 (0.33) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16410305 0.83 AAK1 (0.35) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16397476 0.83 PTGER1 (0.37) PTGER1
SCHEMBL16410271 0.81 CFD (0.34) AAK1CFDF11KLKB1TPSB2

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 AAK1 3561/4885MTNR1A 2124/4885MTNR1B 966/4885

“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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