SCHEMBL1003712

SCHEMBL1003712

O=C1CCCN1[C@@H](c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc(F)nc3)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
DRD2 P14416 3/20 0.34
ADRA1A P35348 2/20 0.34
MCHR1 Q99705 2/20 0.34
KCNH2 Q12809 1/20 0.34
IKZF2 Q9UKS7 4/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL1003714 1.00 JAK2 (0.36) JAK2JAK1TYK2JAK3DRD2
Hydrochloric Acid SCHEMBL1001532 0.82 JAK2 (0.40) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1002612 0.80 JAK2 (0.40) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1003094 0.76 DRD2 (0.39) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1003096 0.76 DRD2 (0.39) JAK2JAK1TYK2JAK3DRD2
Hydrochloric Acid SCHEMBL1005446 0.76 KCNH2 (0.41) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1002856 0.75 PRCP (0.39) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1002976 0.75 DRD2 (0.38) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1002977 0.75 DRD2 (0.38) JAK2JAK1TYK2JAK3DRD2
SCHEMBL1001396 0.75 DRD2 (0.38) JAK2JAK1TYK2JAK3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 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 (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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 JAK2 122/4885JAK1 478/4885TYK2 707/4885

“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.