SCHEMBL6983982

SCHEMBL6983982

O=CC=CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
ACHE P22303 6/20 0.54
CCR3 P51677 1/20 0.53
DRD2 P14416 4/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 4/20 0.52
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
CXCR4 P61073 1/20 0.50
HTR2A P28223 1/20 0.50
BACE1 P56817 2/20 0.49
BCHE P06276 1/20 0.49

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
SCHEMBL6983979 1.00 HDAC8 (0.60) HDAC8ACHECCR3DRD2DRD4
SCHEMBL700085 0.83 ACHE (0.61) HDAC8ACHECCR3DRD2DRD4
SCHEMBL28532094 0.83 ACHE (0.61) HDAC8ACHECCR3DRD2DRD4
SCHEMBL7496085 0.80 HDAC8 (0.75) HDAC8DRD2SIGMAR1MEN1TSHR
SCHEMBL7496089 0.80 HDAC8 (0.75) HDAC8DRD2SIGMAR1MEN1TSHR
SCHEMBL27714492 0.78 ACHE (0.54) HDAC8ACHECCR3DRD2DRD4
SCHEMBL22291039 0.78 HDAC8 (0.60) HDAC8ACHECCR3DRD2DRD4
SCHEMBL2538235 0.78 ACHE (0.53) HDAC8ACHECCR3DRD2DRD4
SCHEMBL8825183 0.77 HDAC8 (0.56) HDAC8ACHECCR3DRD2DRD4
SCHEMBL7374032 0.77 ACHE (0.57) HDAC8ACHECCR3DRD2DRD4

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 8 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
EP-0606248-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 1994-07-20 EP 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 HDAC8 1384/4885ACHE 1/4885CCR3 4118/4885

“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.