SCHEMBL4899334

SCHEMBL4899334

O=C(NCCc1ccc(OC(F)F)cc1)Nc1cccc(OC(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 3/20 0.56
FPR2 P25090 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NLRP3 Q96P20 1/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 2/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
EPHX2 P34913 2/20 0.51

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
SCHEMBL4901783 0.93 KMT2A (0.63) HTTKMT2AMEN1MAPTFPR2
SCHEMBL4901257 0.91 CNR1 (0.60) HTTKMT2AMEN1MAPTLMNA
SCHEMBL4637466 0.88 HTT (0.54) HTTKMT2AMEN1MAPTFPR2
SCHEMBL4901645 0.88 CNR1 (0.65) HTTKMT2AMEN1MAPTFPR2
SCHEMBL4637362 0.87 CNR1 (0.62) HTTKMT2AMEN1MAPTFPR2
SCHEMBL4638167 0.86 FPR2 (0.73) HTTKMT2AMEN1MAPTFPR2
SCHEMBL4901135 0.85 CA2 (0.64) KMT2AFPR2NPC1RAB9ASMN1; SMN2
SCHEMBL4638831 0.84 FPR2 (0.58) KMT2AMEN1FPR2NLRP3ALDH1A1
SCHEMBL4638782 0.82 EPHX2 (0.73) FPR2NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL4637423 0.82 FPR2 (0.75) HTTKMT2AMEN1MAPTFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 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 (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-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists CNR1, CNR2, GPR119 HTT 540/4885KMT2A 1756/4885MEN1 4403/4885

“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.