SCHEMBL16397017

SCHEMBL16397017

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.46
F11 P03951 7/20 0.46
TPSB2 P20231 5/20 0.46
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
MAOB P27338 2/20 0.43
KLKB1 P03952 3/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
F7 P08709 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 1/20 0.40
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 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 0.97 CFD (0.46) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16396995 0.94 CFD (0.44) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL17772640 0.93 CFD (0.43) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16396524 0.93 CFD (0.43) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16397663 0.93 CFD (0.46) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410376 0.93 CFD (0.46) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410289 0.92 CFD (0.43) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16397377 0.92 CFD (0.43) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410391 0.91 CFD (0.48) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410399 0.91 CFD (0.42) 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.