SCHEMBL7922884

SCHEMBL7922884

CC(C)(C)NCc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
GAA P10253 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RIPK1 Q13546 2/20 0.42
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40
P2RX7 Q99572 2/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL17658902 0.85 MEN1 (0.47) IDO1AGXTKDM4ERIPK1MEN1
SCHEMBL18356065 0.83 P2RX7 (0.41) IDO1AGXTGAAKDM4EMEN1
SCHEMBL17141730 0.81 MEN1 (0.49) GAAKDM4EMEN1PKMKMT2A
SCHEMBL18392591 0.81 ADRA2B (0.51) IDO1AGXTGAAKDM4EMEN1
SCHEMBL13900832 0.81 P2RX7 (0.43) MEN1PKMKMT2AP2RX7ALDH1A1
SCHEMBL7920951 0.80 IDO1 (0.41) IDO1AGXTGAAKDM4ESMN1; SMN2
SCHEMBL9074382 0.80 RIPK1 (0.43) IDO1AGXTGAAKDM4ESMN1; SMN2
SCHEMBL17788629 0.79 SLC6A4 (0.41) GAAKDM4EMEN1PKMKMT2A
SCHEMBL2095744 0.78 SLC6A4 (0.49) IDO1AGXTGAAKDM4ESMN1; SMN2
SCHEMBL13959189 0.78 CA2 (0.49) GAASMN1; SMN2PKMALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP 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 (5 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-20090088436-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 IDO1 314/4885AGXT 2314/4885GAA 1757/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP IDO1 2108/4885AGXT 695/4885GAA 1055/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 IDO1 783/4885AGXT 4458/4885GAA 3888/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP IDO1 2108/4885AGXT 695/4885GAA 1055/4885
US-20070129372-A1 P38 kinase inhibiting agents MAPK1, MAPK8, MAPK7 IDO1 314/4885AGXT 2314/4885GAA 1757/4885

“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.