SCHEMBL16396514

SCHEMBL16396514

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Br)c(F)c(NCC2CCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16396177 0.89 HPGD (0.49) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16397009 0.88 MEN1 (0.48) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16396630 0.84 HPGD (0.41) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16396667 0.78 CCR5 (0.41) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16396665 0.78 CCR5 (0.41) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16396880 0.78 HPGD (0.41) HPGDCCR5LMNAL3MBTL1
SCHEMBL17764394 0.77 CFD (0.37) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16410527 0.77 CFD (0.37) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16410316 0.76 L3MBTL1 (0.36) HPGDMAPTGAAMEN1KMT2A
SCHEMBL16410314 0.76 L3MBTL1 (0.36) HPGDMAPTGAAMEN1KMT2A

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 5 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
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 HPGD 1155/4885MAPT 3865/4885GAA 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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