SCHEMBL900696

SCHEMBL900696

FC(F)Oc1[c]cc(OC(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.38
ALDH1A1 P00352 8/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 2/20 0.37
ALOX15 P16050 2/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
CCR6 P51684 1/20 0.37
GFER P55789 1/20 0.37
ADAM17 P78536 1/20 0.37
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1069872 0.85 GPR3 (0.37) ALDH1A1LMNAALOX15PKMMAPT
SCHEMBL1064079 0.82 GPR3 (0.34) DRD1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1068484 0.78
SCHEMBL1067893 0.78
SCHEMBL359672 0.78
SCHEMBL900706 0.77 DRD1 (0.38) DRD1ALDH1A1MEN1KMT2ALMNA
SCHEMBL900115 0.76 DRD1 (0.37) DRD1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1067320 0.76 DRD1 (0.37) DRD1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4918787 0.75 MEN1 (0.31) MEN1KMT2A
SCHEMBL1067709 0.75 MEN1 (0.31) MEN1KMT2ALMNAHTTMAPT

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
EP-3303337-B1 FUSED TRICYCLIC IMIDAZO PYRAZINES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
US-10472362-B2 Fused tricyclic imidazo pyrazines as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2019-11-12 US disclosed
EP-3080114-B1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-10-02 EP disclosed
EP-3080113-B1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-18 EP disclosed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-20180298006-A1 Fused Tricyclic Imidazo Pyrazines as Modulators of TNF Activity UCB S.A. (BE) 2018-10-18 US disclosed
US-10087179-B2 Fused tricyclic imidazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-10-02 US disclosed
EP-3303337-A1 FUSED TRICYCLIC IMIDAZO PYRAZINES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2018-04-11 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 WO disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 US disclosed
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 US disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US disclosed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US disclosed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US disclosed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 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 (8 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-20180298006-A1 Fused Tricyclic Imidazo Pyrazines as Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 DRD1 3266/4885ALDH1A1 1598/4885MEN1 4123/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR DRD1 1169/4885ALDH1A1 1666/4885MEN1 1738/4885
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 DRD1 1560/4885ALDH1A1 20/4885MEN1 1724/4885
US-10087179-B2 Fused tricyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA DRD1 1667/4885ALDH1A1 1999/4885MEN1 3535/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 DRD1 628/4885ALDH1A1 1640/4885MEN1 2509/4885
US-10472362-B2 Fused tricyclic imidazo pyrazines as modulators of TNF activity TNF, TNFRSF1A, TNFRSF9 DRD1 3161/4885ALDH1A1 1283/4885MEN1 4096/4885
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 DRD1 1470/4885ALDH1A1 14/4885MEN1 1585/4885
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH DRD1 739/4885ALDH1A1 25/4885MEN1 1626/4885

“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.