SCHEMBL16397377

SCHEMBL16397377

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.43
F11 P03951 3/20 0.43
TPSB2 P20231 3/20 0.43
PTGER1 P34995 2/20 0.42
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
MAOB P27338 1/20 0.39
CYP2C9 P11712 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ENPP2 Q13822 1/20 0.37
SLC1A5 Q15758 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16410293 0.92 CFD (0.46) CFDF11TPSB2PTGER1MTNR1A
SCHEMBL16397017 0.92 CFD (0.46) CFDF11TPSB2PTGER1MTNR1A
SCHEMBL16396995 0.89 CFD (0.44) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410376 0.88 CFD (0.46) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16397663 0.88 CFD (0.46) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL17772640 0.88 CFD (0.43) CFDF11TPSB2PTGER1MTNR1A
SCHEMBL16396524 0.88 CFD (0.43) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16396596 0.87 CFD (0.45) CFDF11TPSB2PTGER1MAOB
SCHEMBL16410289 0.87 CFD (0.43) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410391 0.86 CFD (0.48) CFDF11TPSB2MTNR1AMTNR1B

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 CFD 1/4885F11 17/4885TPSB2 248/4885

“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.