SCHEMBL947433

SCHEMBL947433

c1ccc2c(CN3CCCNCC3)c[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.76
HTT P42858 4/20 0.76
KDM4E B2RXH2 2/20 0.76
MAPK1 P28482 1/20 0.76
JAK2 O60674 1/20 0.74
RAB9A P51151 1/20 0.74
BCHE P06276 1/20 0.72
CYP2D6 P10635 1/20 0.72
HTR6 P50406 1/20 0.63
DRD2 P14416 7/20 0.60
DRD4 P21917 7/20 0.60
DRD3 P35462 7/20 0.60
ALDH1A1 P00352 3/20 0.57
TP53 P04637 1/20 0.57
HTR2A P28223 1/20 0.57
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL948663 0.94 CYP2D6 (0.81) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL10463380 0.88 LMNA (0.97) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL1849016 0.88 LMNA (0.90) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL8789790 0.86 LMNA (1.00) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL762564 0.79 HTR2A (0.78) LMNAHTTRAB9ABCHECYP2D6
SCHEMBL673928 0.79 CXCR4 (0.63) LMNAHTT
SCHEMBL948662 0.78 HTR6 (1.00) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL11838124 0.78 BCHE (0.84) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL1856027 0.78 BCHE (0.79) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL27854104 0.77 LMNA (0.71) LMNAHTTKDM4EMAPK1JAK2

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-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C LMNA 2304/4885HTT 284/4885KDM4E 3995/4885

“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.