SCHEMBL4496943

SCHEMBL4496943

CCCN(CC1CC1)c1nc(SC)ncc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
PLK1 P53350 2/20 0.37
CRHR1 P34998 10/20 0.36
CNR2 P34972 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4488834 0.81 AR (0.35) ARPLK1CRHR1CNR2
SCHEMBL4497783 0.80 TACR1 (0.40) ARPLK1CRHR1CNR2GPBAR1
SCHEMBL13965585 0.77 DRD4 (0.40) PLK1CRHR1CNR2GPBAR1TACR1
SCHEMBL13965586 0.77 CRHR1 (0.37) CRHR1CNR2SLC2A1
SCHEMBL13965584 0.76 CRHR1 (0.40) CRHR1CNR2
SCHEMBL4502643 0.76 CRHR1 (0.39) ARPLK1CRHR1MEN1NR1I2
SCHEMBL13975427 0.75 CNR2 (0.37) ARPLK1CRHR1CNR2GPBAR1
SCHEMBL14602940 0.74 TACR1 (0.38) CRHR1GPBAR1TACR1
SCHEMBL5623657 0.73 TACR1 (0.41) CRHR1CNR2GPBAR1TACR1
SCHEMBL4503059 0.73 CRHR1 (0.38) PLK1CRHR1MEN1NR1I2GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB AR 2569/4885PLK1 4219/4885CRHR1 3834/4885

“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.