SCHEMBL16397397

SCHEMBL16397397

CC(C)(C)OC(=O)Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
NR1D1 P20393 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29805390 0.89 MTNR1A (0.46) MAPTMTNR1AMTNR1BNR1D1ATM
SCHEMBL6761974 0.85 CYP1A2 (0.62) MAPTCYP1A2TDP1ALDH1A1HTT
SCHEMBL13696768 0.85 TSHR (0.46) MAPTCYP1A2MTNR1AMTNR1BNR1D1
SCHEMBL27719772 0.85 PDGFRB (0.56) MAPTCYP1A2ATMTDP1ALDH1A1
SCHEMBL6330412 0.84 MAPK1 (0.52) MAPTALDH1A1HTT
SCHEMBL18363051 0.84 MEN1 (0.44) MAPTCYP1A2MTNR1AMTNR1BTDP1
SCHEMBL16410279 0.84 MAPK1 (0.45) CYP1A2MTNR1AMTNR1BNR1D1ATM
SCHEMBL16410198 0.84 CYP1A2 (0.43) MAPTCYP1A2MTNR1AMTNR1BTDP1
SCHEMBL2994232 0.83 CYP1A2 (0.50) MAPTCYP1A2ATMTDP1ALDH1A1
SCHEMBL30410464 0.83 CYP1A2 (0.50) MAPTCYP1A2ATMTDP1ALDH1A1

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 MAPT 3865/4885CYP1A2 402/4885MTNR1A 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.