SCHEMBL16397254

SCHEMBL16397254

COC(=O)Cc1ccccc1OCc1cc(Cl)cc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.40
▸ CD274 Q9NZQ7 3/20 0.39
▸ PDCD1 Q15116 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPIA P62937 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL17764403 0.87 MRGPRX4 (0.51) MRGPRX4PTGDR2
SCHEMBL16396685 0.87 CFD (0.43) MRGPRX4SGMS2CD274PDCD1PPIA
SCHEMBL16396575 0.84 CFD (0.47) MRGPRX4PTGDR2TP53POLBGAA
SCHEMBL16396596 0.83 CFD (0.45) PTGDR2TP53POLBGAAMAPT
SCHEMBL16396221 0.83 CFD (0.50) MRGPRX4PTGDR2TP53POLBGAA
SCHEMBL16396918 0.81 GAA (0.40) PTGDR2TP53POLBGAAMAPT
SCHEMBL26087825 0.79 HSP90AB1 (0.49) MRGPRX4TP53GAAMAPTSMN1; SMN2
SCHEMBL16397666 0.78 GAA (0.40) MRGPRX4SGMS2TP53POLBGAA
SCHEMBL16396476 0.78 MTNR1A (0.40) PTGDR2TP53POLBGAAMAPT
SCHEMBL6332053 0.77 MRGPRX4 (0.52) MRGPRX4PTGDR2PPIA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016088082-A1 AMIDOMETHYL-BIARYL DERIVATIVES COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2016-06-09 — — WO 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
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 MRGPRX4 482/4885PTGDR2 954/4885SGMS2 872/4885

“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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