SCHEMBL16396785

SCHEMBL16396785

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(NCC2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ CFD P00746 4/20 0.35
▸ F11 P03951 4/20 0.35
▸ KLKB1 P03952 4/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ PPIA P62937 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL16396642 0.96 PTGER1 (0.36) POLBGAATP53MAPTTHRB
SCHEMBL16396884 0.86 CFD (0.46) POLBGAATP53MAPTTHRB
SCHEMBL16410446 0.85 MTNR1A (0.38) POLBGAATP53MAPTTHRB
SCHEMBL16410429 0.84 MEN1 (0.43) POLBGAATP53MAPTTHRB
SCHEMBL16410371 0.84 CYP2C9 (0.39) POLBGAATP53MAPTTHRB
SCHEMBL16410305 0.83 AAK1 (0.35) ACACBACACACFDF11KLKB1
SCHEMBL16410299 0.81 KMT2A (0.43) POLBGAATP53MAPTTHRB
SCHEMBL16396435 0.80 TRPM8 (0.35) CYP2C9PTGER1CFDF11KLKB1
SCHEMBL16397377 0.80 CFD (0.43) POLBGAATP53MAPTTHRB
SCHEMBL16410271 0.80 CFD (0.34) CFDF11KLKB1TPSB2

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 POLB 3589/4885GAA 1826/4885TP53 4802/4885

“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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