SCHEMBL29300416

SCHEMBL29300416

CC(C)CCCCNC(=O)c1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MCHR1 Q99705 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ FOLH1 Q04609 1/20 0.45

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
SCHEMBL29300382 0.91 TERT (0.52) NPC1RAB9ASMN1; SMN2MCHR1HDAC3
SCHEMBL8234410 0.86 HDAC3 (0.61) NPC1RAB9AMCHR1HDAC3HDAC6
SCHEMBL11282161 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL8269538 0.83 L3MBTL1 (0.67) NPC1RAB9ASMN1; SMN2MCHR1HDAC3
SCHEMBL10174286 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ITGB3ITGA2B
SCHEMBL5240265 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MCHR1HDAC3
SCHEMBL17082537 0.83 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ITGB3ITGA2B
SCHEMBL22488360 0.83 HDAC3 (0.58) NPC1RAB9AMCHR1HDAC3HDAC6
SCHEMBL1857865 0.82 L3MBTL1 (0.69) NPC1RAB9ASMN1; SMN2MCHR1HDAC3
SCHEMBL10099539 0.82 L3MBTL1 (0.69) NPC1RAB9ASMN1; SMN2HDAC3NCOR2

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-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 — — 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-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R NPC1 2184/4885RAB9A 1023/4885SMN1; SMN2 3725/4885

“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.

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