SCHEMBL16396265

SCHEMBL16396265

COCCc1cc(Cl)cc(COc2ccccc2CC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.40
▸ MTNR1B P49286 6/20 0.40
▸ ABCB1 P08183 5/20 0.40
▸ CFD P00746 2/20 0.39
▸ F11 P03951 2/20 0.39
▸ TPSB2 P20231 2/20 0.39
▸ CYP2C9 P11712 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ SGMS2 Q8NHU3 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ SLC1A5 Q15758 1/20 0.35

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
SCHEMBL16396881 0.88 MTNR1A (0.40) MTNR1AMTNR1BABCB1CFDF11
SCHEMBL16397748 0.87 CFD (0.38) MTNR1AMTNR1BABCB1CFDF11
SCHEMBL16397377 0.84 CFD (0.43) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL16397192 0.83 MTNR1A (0.38) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL16410429 0.82 MEN1 (0.43) MTNR1AMTNR1BCYP2C9PTGER1
SCHEMBL16396476 0.81 MTNR1A (0.40) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL16410376 0.81 CFD (0.46) MTNR1AMTNR1BABCB1CFDF11
SCHEMBL16410293 0.80 CFD (0.46) MTNR1AMTNR1BABCB1CFDF11
SCHEMBL16410446 0.79 MTNR1A (0.38) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL16396268 0.79 MEN1 (0.40) CYP2C9PTGER1

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 MTNR1A 2124/4885MTNR1B 966/4885ABCB1 253/4885

“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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