SCHEMBL6399328

SCHEMBL6399328

c1ccc2sc(C3CCN(CCCN4CCC(c5nc6ccccc6s5)CC4)CC3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.65
DRD4 P21917 1/20 0.65
GRM2 Q14416 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.58
LMNA P02545 2/20 0.58
HTR1A P08908 2/20 0.56
HTR2A P28223 2/20 0.56
SLC6A4 P31645 2/20 0.56
HTR7 P34969 2/20 0.56
TP53 P04637 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
HRH1 P35367 1/20 0.55
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL8025525 0.94 DRD2 (0.58) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL7533466 0.92 DRD2 (0.60) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL14463703 0.92 DRD2 (0.63) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL7999797 0.87 DRD2 (0.54) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL14464365 0.86 DRD2 (0.65) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL31145168 0.85 DRD2 (0.58) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL144856 0.84 DRD2 (0.52) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL13202810 0.84 KMT2A (0.63) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL904827 0.83 LMNA (0.55) DRD2DRD4GRM2SMN1; SMN2KMT2A
SCHEMBL7503033 0.82 SMN1; SMN2 (0.61) DRD2DRD4GRM2SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130961-A1 Muscarinic M1 receptor agonists for pain management ACADIA PHARMACEUTICALS INC. 2005-06-16 US disclosed
US-20050075372-A1 Method for controlling particular insect pest by applying anthranilamide compounds E. I. DU PONT DE NEMOURS AND COMPANY 2005-04-07 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 (2 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-20050130961-A1 Muscarinic M1 receptor agonists for pain management CHRM1, CHRM3, CHRM2 DRD2 346/4885DRD4 609/4885GRM2 59/4885
US-20050075372-A1 Method for controlling particular insect pest by applying anthranilamide compounds ANTXR2, HRH4, HDAC10 DRD2 3786/4885DRD4 3046/4885GRM2 1660/4885

“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.