SCHEMBL6861558

SCHEMBL6861558

O=C(Nc1cccc2ccccc12)N[C@H]1CC[C@@H](Nc2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 1/20 0.56
KMT5C Q86Y97 1/20 0.56
EPHX1 P07099 1/20 0.54
NSD2 O96028 1/20 0.53
ABL1 P00519 2/20 0.52
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
ACVR1 Q04771 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
JAK2 O60674 1/20 0.52
NTRK1 P04629 1/20 0.52
RET P07949 1/20 0.52
JAK3 P52333 1/20 0.52
MAP2K1 Q02750 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 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
SCHEMBL6861562 1.00 KMT5B (0.56) KMT5BKMT5CEPHX1NSD2ABL1
SCHEMBL6869577 0.89 KMT5B (0.60) KMT5BKMT5CNSD2ABL1GSK3A
SCHEMBL6869581 0.89 KMT5B (0.60) KMT5BKMT5CNSD2ABL1GSK3A
SCHEMBL6866385 0.89 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866379 0.89 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6870138 0.86 KMT5B (0.55) KMT5BKMT5CEPHX1NSD2ABL1
SCHEMBL6870135 0.86 KMT5B (0.55) KMT5BKMT5CEPHX1NSD2ABL1
SCHEMBL6866592 0.85 KMT5B (0.57) KMT5BKMT5CNSD2ABL1CYP2D6
SCHEMBL6866596 0.85 KMT5B (0.57) KMT5BKMT5CNSD2ABL1CYP2D6
SCHEMBL6861493 0.85 KMT5B (0.60) KMT5BKMT5CEPHX1NSD2ABL1

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 4 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

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 KMT5B 1214/4885KMT5C 1285/4885EPHX1 2672/4885

“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.