SCHEMBL16396642

SCHEMBL16396642

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(NCC2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 3/20 0.36
▸ CACNA1B Q00975 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ C5AR1 P21730 2/20 0.34
▸ CFD P00746 3/20 0.34
▸ F11 P03951 3/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ MTNR1A P48039 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
SCHEMBL16396785 0.96 POLB (0.36) PTGER1CYP2C9TP53POLBGAA
SCHEMBL16410271 0.83 CFD (0.34) CACNA1BHPGDCFDF11KLKB1
SCHEMBL16410446 0.83 MTNR1A (0.38) PTGER1CYP2C9TP53POLBGAA
SCHEMBL16396884 0.83 CFD (0.46) PTGER1TP53POLBGAAMAPT
SCHEMBL16410429 0.83 MEN1 (0.43) PTGER1CYP2C9TP53POLBGAA
SCHEMBL16410371 0.82 CYP2C9 (0.39) PTGER1CYP2C9TP53POLBGAA
SCHEMBL16410263 0.82 TRPV1 (0.37) PTGER1CACNA1BCYP2C9CFDF11
SCHEMBL16410299 0.80 KMT2A (0.43) PTGER1TP53POLBGAAMAPT
SCHEMBL16410305 0.79 AAK1 (0.35) CFDF11KLKB1MTNR1AMTNR1B
SCHEMBL16397377 0.78 CFD (0.43) PTGER1CYP2C9TP53POLBGAA

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 PTGER1 1777/4885CACNA1B 4569/4885CYP2C9 228/4885

“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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