SCHEMBL16397128

SCHEMBL16397128

Cn1ccc(C#Cc2cc(Cl)cc(COc3ccccc3CC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 10/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ CFD P00746 2/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ SLC16A3 O15427 1/20 0.32
▸ SLC16A1 P53985 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32

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
SCHEMBL16397212 0.83 MTNR1A (0.37) PTGER1CYP2C9MTNR1AMTNR1BCFD
SCHEMBL16396476 0.81 MTNR1A (0.40) PTGER1CYP2C9MTNR1AMTNR1BCFD
SCHEMBL16396281 0.78 CFD (0.40) PTGER1CYP2C9CFDFGFR3KDR
SCHEMBL16397377 0.76 CFD (0.43) PTGER1CYP2C9MTNR1AMTNR1BCFD
SCHEMBL16410429 0.74 MEN1 (0.43) PTGER1CYP2C9MTNR1AMTNR1BTP53
SCHEMBL16396265 0.73 MTNR1A (0.40) PTGER1CYP2C9MTNR1AMTNR1BCFD
SCHEMBL16397192 0.73 MTNR1A (0.38) PTGER1CYP2C9MTNR1AMTNR1BCFD
SCHEMBL16396881 0.73 MTNR1A (0.40) PTGER1CYP2C9MTNR1AMTNR1BCFD
SCHEMBL16396268 0.73 MEN1 (0.40) PTGER1CYP2C9
SCHEMBL16397748 0.72 CFD (0.38) PTGER1CYP2C9MTNR1AMTNR1BCFD

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 6 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
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 1777/4885CYP2C9 228/4885MTNR1A 2124/4885

“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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