SCHEMBL7023844

SCHEMBL7023844

COC(=O)N(C)c1ccc(C(CCN(Cc2ccccc2)Cc2ccccc2)c2ccc(N(C)C(=O)OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.43
DPP7 Q9UHL4 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 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
SCHEMBL7021515 0.85 POLB (0.53) MEN1ALDH1A1KMT2ANPC1MAPT
SCHEMBL7028010 0.80 MEN1 (0.60) CASRCNR2L3MBTL1MEN1ALDH1A1
SCHEMBL7024089 0.79 SMN1; SMN2 (0.51) CASRALDH1A1NPC1RAB9AMAPT
SCHEMBL2091346 0.75 LMNA (0.47) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL7030624 0.73 POLB (0.56) MEN1ALDH1A1KMT2ANPC1MAPT
SCHEMBL7028473 0.73 HTR2A (0.43) CASRDPP7HDAC3HDAC1HDAC2
SCHEMBL491229 0.72 RAB9A (0.54) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL15966571 0.70 TSHR (0.42) DPP7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15966536 0.70 TSHR (0.42) DPP7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11664172 0.68 HDAC1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 CASR 1433/4885DPP7 3708/4885CHRNB2 167/4885

“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.