SCHEMBL4985334

SCHEMBL4985334

COc1ccc(NC(=O)NC2CCN(C)CC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MALT1 Q9UDY8 7/20 0.60
EPHX2 P34913 3/20 0.56
NPC1 O15118 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL6567590 0.86 NPC1 (0.70) SMN1; SMN2MALT1EPHX2NPC1TSHR
SCHEMBL10211682 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1MALT1EPHX2NPC1
SCHEMBL10223935 0.80 EPHX2 (0.72) SMN1; SMN2NPSR1EPHX2NPC1RAB9A
SCHEMBL4982564 0.76 MAPT (0.57) EPHX2NPC1TSHRRAB9AALDH1A1
SCHEMBL10210850 0.75 SMN1; SMN2 (0.64) SMN1; SMN2NPSR1EPHX2NPC1RAB9A
SCHEMBL14519207 0.75 EPHX1 (0.70) SMN1; SMN2NPSR1EPHX2NPC1RAB9A
SCHEMBL11754054 0.75 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1NPC1HTTRAB9A
SCHEMBL11685462 0.75 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1NPC1HTTRAB9A
SCHEMBL4984113 0.75 CXCR3 (0.63) SMN1; SMN2NPSR1EPHX2NPC1TSHR
SCHEMBL4113279 0.75 EPHX2 (0.65) SMN1; SMN2NPSR1MALT1EPHX2NPC1

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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 SMN1; SMN2 4046/4885NPSR1 55/4885MALT1 1737/4885

“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.