SCHEMBL6980910

SCHEMBL6980910

O=C(C=C(c1nc2ccccc2s1)C1CCN(Cc2ccccc2)CC1)C=C(c1nc2ccccc2s1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.56
CCR3 P51677 4/20 0.54
CCR1 P32246 3/20 0.54
KCNH2 Q12809 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CHRM4 P08173 1/20 0.48
DRD2 P14416 3/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 2/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
DRD4 P21917 1/20 0.46

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
SCHEMBL6980905 1.00 LTA4H (0.56) LTA4HCCR3CCR1KCNH2RAB9A
SCHEMBL7594049 0.80 SLC6A2 (0.48) LTA4HMEN1KMT2ADRD2SLC6A4
SCHEMBL6980908 0.79 CCR3 (0.54) LTA4HCCR3CCR1KCNH2RAB9A
SCHEMBL6980795 0.79 HDAC8 (0.56) LTA4HCCR3CCR1KCNH2RAB9A
SCHEMBL6980792 0.79 HDAC8 (0.56) LTA4HCCR3CCR1KCNH2RAB9A
SCHEMBL6979906 0.77 ACHE (0.63) LTA4HCCR3CCR1RAB9ANPC1
SCHEMBL6980913 0.77 CCR3 (0.52) LTA4HCCR3CCR1KCNH2RAB9A
SCHEMBL7839501 0.75 HTR2A (0.60) LTA4HCCR3CCR1KCNH2RAB9A
SCHEMBL7594548 0.73 GAA (0.45) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7837575 0.73 HTR1A (0.53) LTA4HCCR3CCR1KCNH2RAB9A

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 LTA4H 989/4885CCR3 4118/4885CCR1 3895/4885

“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.