SCHEMBL6399782

SCHEMBL6399782

O=C(NC1CCCC1)c1cccc(CC2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMYD3 Q9H7B4 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
ROCK2 O75116 1/20 0.49
KDM1A O60341 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTR2B P41595 1/20 0.47

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
Hydrochloric Acid SCHEMBL6399092 0.99 L3MBTL1 (0.53) L3MBTL1LMNARAB9ANPC1SMYD3
SCHEMBL12736080 0.87 LMNA (0.56) L3MBTL1LMNARAB9ANPC1SMYD3
SCHEMBL1633286 0.83 GBA1 (0.60) SMYD3ITGB3ITGA2B
SCHEMBL6398982 0.82 L3MBTL1 (0.51) L3MBTL1LMNARAB9ANPC1SMYD3
SCHEMBL17409822 0.81 SMYD3 (0.72) L3MBTL1LMNARAB9ANPC1SMYD3
SCHEMBL3515533 0.81 LMNA (0.55) L3MBTL1LMNARAB9ANPC1SMYD3
SCHEMBL4971265 0.79 NPC1 (0.58) RAB9ANPC1HPGDKDM4EROCK2
SCHEMBL21257402 0.79 SMYD3 (0.78) L3MBTL1LMNARAB9ANPC1SMYD3
SCHEMBL4974021 0.79 OPRM1 (0.56) ROCK2KDM1AITGB3ITGA2B
SCHEMBL1019239 0.78 KMT2A (0.58) KMT2A

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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-08-11 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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors HTR5A, HTR2C, HTR3C L3MBTL1 2549/4885LMNA 1934/4885RAB9A 2400/4885

“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.