SCHEMBL3258954

SCHEMBL3258954

FC(F)(F)c1ccccc1CNC1=N[C@H](c2ccccc2)CN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
C5AR1 P21730 1/20 0.37
EGFR P00533 1/20 0.36
EPHX2 P34913 2/20 0.36
CDK1 P06493 1/20 0.36
P2RX7 Q99572 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
SCHEMBL3255837 1.00 TACR1 (0.39) TACR1MRGPRX1ATMMEN1KMT2A
SCHEMBL3256393 0.84 KDM1A (0.45) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL3251081 0.82 KDM1A (0.45) TACR1ATMMEN1KMT2AKDM4E
SCHEMBL3255880 0.81 KDM1A (0.45) ATMMEN1KMT2AEPHX2
SCHEMBL3248354 0.81 KDM1A (0.45) ATMMEN1KMT2AEPHX2
SCHEMBL5731330 0.80 MEN1 (0.44) ATMMEN1KMT2AALDH1A1
SCHEMBL3256065 0.79 MEN1 (0.57) TACR1ATMMEN1KMT2AKDM4E
SCHEMBL3251169 0.77 MEN1 (0.43) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL3297432 0.77 MEN1 (0.43) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL3256934 0.76 KDM1A (0.49) ATMMEN1KMT2AALDH1A1EPHX2

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-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US 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 (2 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 TACR1 408/4885MRGPRX1 167/4885ATM 4261/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 TACR1 408/4885MRGPRX1 167/4885ATM 4261/4885

“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.