SCHEMBL16396753

SCHEMBL16396753

O=C(O)NCc1cccc(-c2cccc(CO)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
PTGER4 P35408 3/20 0.42
WDR5 P61964 3/20 0.42
CFD P00746 1/20 0.41
TRPV3 Q8NET8 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
TACR3 P29371 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL16410345 0.82 BRD4 (0.46) CYP1A2CYP2C9TRPV3
SCHEMBL16396467 0.80 AOC3 (0.44) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16396868 0.79 AOC3 (0.58) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL22501619 0.78 FFAR1 (0.53) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL22501674 0.77 CTSV (0.52) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3747154 0.76 NPSR1 (0.59) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3368486 0.74 TSHR (0.59) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL2953474 0.74 MEN1 (0.60) TRPV3
SCHEMBL8059189 0.74 CYP1A2 (0.68) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL4271071 0.73 TRPV3 (0.41) TRPV3

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 3 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
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

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 AOC3 600/4885CYP1A2 402/4885CYP2D6 321/4885

“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.