SCHEMBL7056625

SCHEMBL7056625

O=C(NCc1ccccc1)NC1CCN(C(C(=O)C2CCCCC2)C2CCc3ccccc3N2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.51
HPGD P15428 3/20 0.51
DRD4 P21917 1/20 0.47
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
EPHX2 P34913 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KDM5A P29375 1/20 0.40
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6193727 0.85 MEN1 (0.40) DRD4NPSR1GAARAB9ANPC1
SCHEMBL6193124 0.83 GRIN2B (0.41) MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6195048 0.80 OPRM1 (0.42)
SCHEMBL6194104 0.80 GRIN2D (0.39) KMT2A
SCHEMBL6193834 0.80 GRIN2B (0.38) SMN1; SMN2TSHRALDH1A1
SCHEMBL6193079 0.79 SLC18A3 (0.40) MAPTALDH1A1KMT2A
SCHEMBL6192678 0.78 DRD3 (0.44) SMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL6194715 0.77 SMN1; SMN2 (0.38) HPGDMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6194363 0.76 FASN (0.45) HPGDEPHX2ALDH1A1KMT2AL3MBTL1
SCHEMBL6194843 0.75 ALDH1A1 (0.35) HPGDMAPTSMN1; SMN2ALDH1A1KMT2A

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-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E EPHX1 2001/4885HPGD 545/4885DRD4 494/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C EPHX1 1977/4885HPGD 254/4885DRD4 157/4885

“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.