SCHEMBL6398982

SCHEMBL6398982

O=C(NC1CCCC1)c1cccc(CC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
SMYD3 Q9H7B4 1/20 0.49
CHRM2 P08172 1/20 0.48

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
SCHEMBL6398615 0.84 USP30 (0.57) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6399782 0.82 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1LMNANPC1
SCHEMBL1021727 0.81 FAAH (0.62) KMT2AMEN1SIGMAR1
Hydrochloric Acid SCHEMBL6399092 0.81 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1LMNANPC1
SCHEMBL19896563 0.76 USP30 (0.53) L3MBTL1KMT2ALMNACTDSP1TDP1
SCHEMBL19896562 0.76 USP30 (0.53) L3MBTL1KMT2ALMNACTDSP1TDP1
SCHEMBL20658792 0.76 FAAH (0.51) KMT2AMEN1LMNAGAARAB9A
SCHEMBL21257402 0.76 SMYD3 (0.78) L3MBTL1KMT2AMEN1LMNANPC1
SCHEMBL995119 0.75 POLB (0.66) KMT2AMEN1NPC1RAB9A
SCHEMBL2636547 0.75 MEN1 (0.68) L3MBTL1KMT2AMEN1LMNAGAA

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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-08-11 US disclosed
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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 2549/4885KMT2A 2269/4885HTT 1539/4885

“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.