SCHEMBL6645705

SCHEMBL6645705

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1ccccc1N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
HTR2A P28223 2/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.45
NPY2R P49146 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMO Q99835 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KLF5 Q13887 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6646117 0.99 MAPT (0.48) SMN1; SMN2MAPTGAAL3MBTL1HTR2C
SCHEMBL6643967 0.91 GAA (0.51) SMN1; SMN2MAPTGAAL3MBTL1HTR2C
SCHEMBL6645751 0.91 ALDH1A1 (0.53) SMN1; SMN2MAPTL3MBTL1HTR2CHTR2B
SCHEMBL6645864 0.91 GAA (0.46) SMN1; SMN2MAPTGAAL3MBTL1HTR2C
SCHEMBL6646057 0.91 HTR2C (0.50) SMN1; SMN2MAPTHTR2CHTR2BHTR2A
SCHEMBL6646675 0.91 GAA (0.46) SMN1; SMN2MAPTGAAL3MBTL1HTR2C
SCHEMBL6647734 0.91 GAA (0.49) SMN1; SMN2MAPTGAAL3MBTL1HTR2C
SCHEMBL6643075 0.90 EIF2AK3 (0.45) SMN1; SMN2MAPTHTR2CHTR2BHTR2A
SCHEMBL6648311 0.90 SMN1; SMN2 (0.45) SMN1; SMN2MAPTGAAL3MBTL1HTR2C
SCHEMBL6648416 0.89 HTR2C (0.44) SMN1; SMN2MAPTL3MBTL1HTR2CHTR2B

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR SMN1; SMN2 1836/4885MAPT 4101/4885GAA 3155/4885

“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.