SCHEMBL7594044

SCHEMBL7594044

O=C(C(=CC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2s1)C(=CC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
BCL2L1 Q07817 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
DRD4 P21917 2/20 0.43
SLC6A12 P48065 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CCR1 P32246 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL7594547 0.89 HDAC8 (0.44) HDAC8UTS2RBCHEACHE
SCHEMBL7594053 0.85 SLC6A2 (0.46) SLC6A2SLC6A4HDAC8DRD2DRD3
SCHEMBL6980908 0.80 CCR3 (0.54) SLC6A2SLC6A4HDAC8DRD2BCHE
SCHEMBL7594049 0.78 SLC6A2 (0.48) SLC6A2SLC6A4DRD2DRD3HRH3
SCHEMBL7598882 0.77 ACHE (0.56) SLC6A2SLC6A4HDAC8DRD3BCHE
SCHEMBL7598879 0.77 ACHE (0.56) SLC6A2SLC6A4HDAC8DRD3BCHE
SCHEMBL221425 0.77 ACHE (0.63) SLC6A2SLC6A4DRD2DRD4SIGMAR1
SCHEMBL7145587 0.75 CHRM2 (0.67) SIGMAR1
SCHEMBL2651496 0.75 BCL2L1 (0.53) HDAC8HRH3BCL2L1KDM2B
SCHEMBL2651495 0.75 BCL2L1 (0.53) HDAC8HRH3BCL2L1KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG L (US) 2002-04-25 US disclosed
US-6303633-B1 FOR THERAPY AND PROPHYLAXIS OF ALZHEIMER'S DISEASE PFIZER INC 2001-10-16 US disclosed
US-6124321-A Heteroaryl amines as novel acetyl cholinesterase inhibitors PFIZER INC (US) 2000-09-26 US disclosed
US-5965574-A Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG LIANG (US) 1999-10-12 US disclosed
US-5574046-A Heteroaryl amines as novel acetylcholinesterase inhibitors PFIZER INC. (US) 1996-11-12 US disclosed
WO-1993007140-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS PFIZER INC. (US) 1993-04-15 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-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors ACHE, BCHE, CHAT SLC6A2 1217/4885SLC6A4 2681/4885HDAC8 1384/4885

“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.