SCHEMBL16396354

SCHEMBL16396354

COC(=O)Cc1ccccc1OCc1cc(Br)cc(OCC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.40
▸ F11 P03951 2/20 0.40
▸ TPSB2 P20231 2/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ ABCB1 P08183 5/20 0.38
▸ KAT6A Q92794 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 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
SCHEMBL16396352 0.89 RIPK1 (0.41) CFDF11TPSB2RIPK1ABCB1
SCHEMBL16396346 0.89 CFD (0.51) CFDF11TPSB2PDE4DPLG
SCHEMBL16396379 0.86 ABCB1 (0.52) CFDF11TPSB2ABCB1LRRK2
SCHEMBL16397062 0.86 HPGD (0.46) MEN1KMT2A
SCHEMBL16397063 0.86 HPGD (0.46) MEN1KMT2A
SCHEMBL7877843 0.81 RIPK1 (0.56) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16396825 0.80 CFD (0.48) CFDF11TPSB2ABCB1LRRK2
SCHEMBL16396962 0.79 CFD (0.50) CFDF11TPSB2ABCB1LRRK2
SCHEMBL16396596 0.79 CFD (0.45) CFDF11TPSB2ABCB1LRRK2
SCHEMBL16396685 0.79 CFD (0.43) CFDF11TPSB2ABCB1LRRK2

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 CFD 1/4885F11 17/4885TPSB2 248/4885

“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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