SCHEMBL4509933

SCHEMBL4509933

CCCN(CC1CC1)c1nc2ccccc2cc1CO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.45
PLK1 P53350 2/20 0.44
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL4188323 0.86 BACE1 (0.39) MEN1LMNAKMT2ANPSR1
SCHEMBL4510042 0.82 CRHR1 (0.50) CRHR1
SCHEMBL27794965 0.80 CRHR1 (0.37) CRHR1MEN1LMNAKMT2A
SCHEMBL11947609 0.80 L3MBTL1 (0.40) CRHR1MEN1TSHRMAPK1KMT2A
SCHEMBL4346798 0.80 L3MBTL1 (0.40) CRHR1MEN1TSHRMAPK1KMT2A
SCHEMBL4346805 0.80 L3MBTL1 (0.40) CRHR1MEN1TSHRMAPK1KMT2A
SCHEMBL4496282 0.79 ALDH1A1 (0.46) CRHR1PLK1MEN1NR1I2GMNN
SCHEMBL4497783 0.76 TACR1 (0.40) CRHR1PLK1
SCHEMBL4509471 0.74 AR (0.39) CRHR1PLK1
SCHEMBL4495188 0.73 CRHR1 (0.46) CRHR1PLK1MEN1NR1I2GMNN

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 CRHR1 3834/4885PLK1 4219/4885MEN1 2338/4885

“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.