SCHEMBL4049006

SCHEMBL4049006

CNC(CO)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL30878567 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL14262065 0.80 USP1 (0.43) SLC6A2SLC6A4CYP3A4CYP2D6ALDH1A1
SCHEMBL6280812 0.80 HIF1A (0.54) CYP3A4SLC6A3ALDH1A1GAA
SCHEMBL14350620 0.80 IDO1 (0.44) SLC6A2SLC6A4TAAR1ALDH1A1IDO1
SCHEMBL16096523 0.80 HIF1A (0.54) CYP3A4SLC6A3ALDH1A1GAA
SCHEMBL24453717 0.80 USP1 (0.43) SLC6A2SLC6A4CYP3A4CYP2D6ALDH1A1
SCHEMBL4537117 0.80 IDO1 (0.44) SLC6A2SLC6A4TAAR1ALDH1A1IDO1
SCHEMBL6632539 0.79 CYP3A4 (0.43) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
Hydrochloric Acid SCHEMBL4739557 0.79 LMNA (0.56) CYP3A4SLC6A3ALDH1A1GAA
SCHEMBL20117808 0.79 KCNK2 (0.37) SLC6A3KCNH2ALDH1A1GAA

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
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
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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 SLC6A2 3972/4885SLC6A4 3981/4885CYP3A4 214/4885

“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.