SCHEMBL16410446

SCHEMBL16410446

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(NCC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.38
▸ MTNR1B P49286 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.36
▸ PPIA P62937 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CFD P00746 2/20 0.34
▸ F11 P03951 2/20 0.34
▸ TPSB2 P20231 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ KLKB1 P03952 1/20 0.34

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
SCHEMBL16410371 0.87 CYP2C9 (0.39) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16397162 0.87 CFD (0.47) GAATP53POLBMAPTTHRB
SCHEMBL16410429 0.86 MEN1 (0.43) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16396785 0.85 POLB (0.36) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16410299 0.83 KMT2A (0.43) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16396642 0.83 PTGER1 (0.36) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16397377 0.81 CFD (0.43) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16397748 0.80 CFD (0.38) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16397192 0.79 MTNR1A (0.38) MTNR1AMTNR1BGAATP53POLB
SCHEMBL16396476 0.79 MTNR1A (0.40) MTNR1AMTNR1BGAATP53POLB

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
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US 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 MTNR1A 2124/4885MTNR1B 966/4885GAA 1826/4885

“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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