SCHEMBL6865902

SCHEMBL6865902

O=C(Nc1cccc(C(F)(F)F)c1)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.55
DCUN1D1 Q96GG9 7/20 0.54
UBE2M P61081 6/20 0.54
GSK3A P49840 2/20 0.54
GSK3B P49841 2/20 0.54
KMT5B Q4FZB7 1/20 0.53
KMT5C Q86Y97 1/20 0.53
NTRK1 P04629 2/20 0.52
JAK2 O60674 1/20 0.52
ABL1 P00519 1/20 0.52
RET P07949 1/20 0.52
JAK3 P52333 1/20 0.52
MAP2K1 Q02750 1/20 0.52
ACVR1 Q04771 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
NSD2 O96028 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49

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
SCHEMBL6865905 1.00 EPHX2 (0.55) EPHX2DCUN1D1UBE2MGSK3AGSK3B
SCHEMBL6866315 0.90 KDM4E (0.58) EPHX2GSK3AGSK3BKMT5BKMT5C
SCHEMBL6866318 0.90 KDM4E (0.58) EPHX2GSK3AGSK3BKMT5BKMT5C
SCHEMBL6861487 0.90 KMT5B (0.60) EPHX2GSK3AGSK3BKMT5BKMT5C
SCHEMBL6861493 0.90 KMT5B (0.60) EPHX2GSK3AGSK3BKMT5BKMT5C
SCHEMBL6861694 0.88 KMT5B (0.62) GSK3AGSK3BKMT5BKMT5CNTRK1
SCHEMBL6861684 0.88 KMT5B (0.62) GSK3AGSK3BKMT5BKMT5CNTRK1
SCHEMBL6871768 0.87 TRPV1 (0.53) EPHX2DCUN1D1UBE2MGSK3AGSK3B
SCHEMBL6871773 0.87 TRPV1 (0.53) EPHX2DCUN1D1UBE2MGSK3AGSK3B
SCHEMBL6869985 0.86 KMT5B (0.55) EPHX2GSK3AGSK3BKMT5BKMT5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US claimed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US claimed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 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-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R EPHX2 4027/4885DCUN1D1 1404/4885UBE2M 3151/4885

“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.