SCHEMBL6979906

SCHEMBL6979906

O=C(CCC1CCN(Cc2ccccc2)CC1)c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.63
BCHE P06276 8/20 0.63
HTR1A P08908 4/20 0.59
DRD2 P14416 4/20 0.59
HTR2A P28223 3/20 0.59
SLC6A4 P31645 3/20 0.59
HTR7 P34969 3/20 0.59
CHRM4 P08173 1/20 0.58
HTR2C P28335 2/20 0.58
SLC6A2 P23975 1/20 0.58
HRH1 P35367 1/20 0.58
CCR1 P32246 1/20 0.55
CCR3 P51677 1/20 0.55
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DRD4 P21917 1/20 0.53
LTA4H P09960 1/20 0.52
HTR4 Q13639 1/20 0.52

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
SCHEMBL221273 0.88 ACHE (0.70) ACHEBCHEDRD2DRD4HTR4
SCHEMBL221425 0.79 ACHE (0.63) ACHEBCHEDRD2SLC6A4SLC6A2
SCHEMBL220379 0.78 ACHE (1.00) ACHEBCHEHTR4SIGMAR1
SCHEMBL6980905 0.77 LTA4H (0.56) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL6980910 0.77 LTA4H (0.56) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL6980795 0.77 HDAC8 (0.56) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL6980908 0.77 CCR3 (0.54) ACHEBCHEHTR1ADRD2HTR2A
SCHEMBL6980792 0.77 HDAC8 (0.56) HTR1ADRD2HTR2ASLC6A4HTR7
Hydrochloric Acid SCHEMBL6979927 0.77 ACHE (1.00) ACHEBCHEHTR4SIGMAR1
SCHEMBL1138416 0.76 ACHE (0.76) ACHEBCHECCR3LTA4H

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 ACHE 1/4885BCHE 2/4885HTR1A 323/4885

“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.