SCHEMBL16410260

SCHEMBL16410260

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(/C=C/c2ccncc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.43
▸ CYP11B1 P15538 3/20 0.43
▸ CYP21A2 P08686 2/20 0.43
▸ PTGER1 P34995 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SGMS2 Q8NHU3 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ TBXAS1 P24557 1/20 0.35
▸ SLC1A5 Q15758 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 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
SCHEMBL16396741 0.86 CFD (0.46) CYP17A1CYP11B1CYP21A2PTGER1SCD
SCHEMBL16396742 0.86 CFD (0.46) CYP17A1CYP11B1CYP21A2PTGER1SCD
SCHEMBL16410272 0.83 HDAC3 (0.33) CYP17A1CYP11B1CYP21A2ABCB1MTNR1A
SCHEMBL16397377 0.80 CFD (0.43) PTGER1CYP2C9MTNR1AMTNR1BSLC1A5
SCHEMBL16397192 0.79 MTNR1A (0.38) PTGER1CYP2C9LMNAMTNR1AMTNR1B
SCHEMBL16410429 0.78 MEN1 (0.43) PTGER1CYP2C9MTNR1AMTNR1BPOLB
SCHEMBL16396476 0.77 MTNR1A (0.40) PTGER1CYP2C9MTNR1AMTNR1BSLC1A5
SCHEMBL16396881 0.77 MTNR1A (0.40) PTGER1CYP2C9ABCB1MTNR1AMTNR1B
SCHEMBL16396265 0.77 MTNR1A (0.40) PTGER1CYP2C9ABCB1SGMS2MTNR1A
SCHEMBL16397748 0.77 CFD (0.38) PTGER1CYP2C9ABCB1MTNR1AMTNR1B

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 CYP17A1 492/4885CYP11B1 582/4885CYP21A2 518/4885

“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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