SCHEMBL7607565

SCHEMBL7607565

Cn1c(C(=O)c2ccc(Br)cc2)cnc1SCCCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.51
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
PIM1 P11309 1/20 0.34
ADORA2A P29274 1/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3533303 0.81 HRH3 (0.64) HRH3ALDH1A1LMNAHPGDNPC1
SCHEMBL1380900 0.78 HRH3 (0.80) HRH3ALDH1A1LMNAHPGDNPC1
SCHEMBL3531356 0.78 HRH3 (0.55) HRH3ALDH1A1LMNAHPGDADORA2A
SCHEMBL1381406 0.78 HRH3 (0.81) HRH3ALDH1A1LMNAHPGD
SCHEMBL3540839 0.76 HRH3 (0.73) HRH3ALDH1A1LMNAADORA2AALOX15
SCHEMBL3533474 0.76 HRH3 (0.66) HRH3ALDH1A1LMNAHPGDNPC1
SCHEMBL3531033 0.73 HRH3 (0.67) HRH3ALDH1A1LMNANPC1MEN1
SCHEMBL3533357 0.72 HRH3 (0.51) HRH3ALDH1A1LMNANPC1MEN1
SCHEMBL3534692 0.71 HRH3 (0.79) HRH3ALDH1A1LMNANPC1MEN1
SCHEMBL3539979 0.69 HRH3 (0.57) HRH3ALDH1A1LMNAADORA2AALOX15

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-20020198237-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-12-26 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-20020198237-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885ALDH1A1 1526/4885LMNA 4151/4885

“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.