SCHEMBL6980913

SCHEMBL6980913

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.52
CCR1 P32246 4/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 6/20 0.48
CHRM4 P08173 1/20 0.46
KCNH2 Q12809 4/20 0.46
DRD2 P14416 3/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL6980908 0.85 CCR3 (0.54) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL6980792 0.81 HDAC8 (0.56) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL6980795 0.81 HDAC8 (0.56) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL7594053 0.80 SLC6A2 (0.46) DRD2SLC6A4SLC6A2DRD4DRD3
SCHEMBL6980905 0.77 LTA4H (0.56) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL6980910 0.77 LTA4H (0.56) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL6979906 0.75 ACHE (0.63) CCR3CCR1NPC1RAB9ALTA4H
SCHEMBL6981212 0.72 MEN1 (0.49) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL6981210 0.72 MEN1 (0.49) CCR3CCR1NPC1RAB9AMEN1
SCHEMBL6981216 0.72 MEN1 (0.49) CCR3CCR1NPC1RAB9AMEN1

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 3895/4885NPC1 1310/4885

“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.