SCHEMBL5320124

SCHEMBL5320124

O=C(ON1CCCCC1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.48
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL19066161 0.85 CA2 (0.55) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1
SCHEMBL5253103 0.82 ALDH1A1 (0.34) ALDH1A1POLBHSD11B1SMN1; SMN2GAA
SCHEMBL7694247 0.77 ALDH1A1 (0.36) ALDH1A1POLBHSD11B1MAPTHPGD
SCHEMBL1114107 0.76 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MAPTHPGD
SCHEMBL2483464 0.76 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MAPTHPGD
SCHEMBL25352240 0.74 ALDH1A1 (0.52) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1
SCHEMBL15414871 0.74 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2MAPTHTT
SCHEMBL10594339 0.74 ALDH1A1 (0.38) ALDH1A1POLBMAPTHPGDMMP1
Water SCHEMBL11439691 0.74 ALDH1A1 (0.38) ALDH1A1POLBMAPTHPGDMMP1
SCHEMBL5597410 0.74 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666734-A Honokiol derivative and preparation method and application thereof 上海植瑞新成医药科技有限公司 2024-09-20 CN disclosed
WO-2007106797-A2 A METHOD OF USE FOR SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2007-09-20 WO disclosed
US-20070219245-A1 METHOD OF USE FOR SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-20 US disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 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-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 ALDH1A1 934/4885POLB 2222/4885HSD11B1 785/4885
US-20070219245-A1 METHOD OF USE FOR SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR5, CCR1 ALDH1A1 995/4885POLB 1994/4885HSD11B1 479/4885

“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.