SCHEMBL6980908

SCHEMBL6980908

O=C(C(=CC1CCN(Cc2ccccc2)CC1)c1nc2ccccc2s1)C(=CC1CCN(Cc2ccccc2)CC1)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.54
CCR1 P32246 4/20 0.54
LTA4H P09960 5/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM4 P08173 1/20 0.48
KCNH2 Q12809 3/20 0.48
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL6980913 0.85 CCR3 (0.52) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL6980792 0.83 HDAC8 (0.56) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL6980795 0.83 HDAC8 (0.56) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL7594044 0.80 SLC6A2 (0.48) CCR3CCR1DRD2SLC6A4SLC6A2
SCHEMBL6980905 0.79 LTA4H (0.56) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL6980910 0.79 LTA4H (0.56) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL6979906 0.77 ACHE (0.63) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL7594547 0.73 HDAC8 (0.44) SMN1; SMN2HDAC8BCHEACHE
SCHEMBL6981212 0.72 MEN1 (0.49) CCR3CCR1LTA4HNPC1RAB9A
SCHEMBL6981216 0.72 MEN1 (0.49) CCR3CCR1LTA4HNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606248-B1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS EISAI CO LTD (JP) 2003-03-26 EP disclosed
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 CCR3 4118/4885CCR1 3895/4885LTA4H 989/4885

“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.