SCHEMBL6981216

SCHEMBL6981216

OC(C=CC1CCN(Cc2ccccc2)CC1)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR3 P51677 3/20 0.47
CCR1 P32246 2/20 0.47
LTA4H P09960 6/20 0.47
KCNH2 Q12809 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 1/20 0.41
ACHE P22303 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL6981210 1.00 MEN1 (0.49) MEN1NPC1RAB9AKMT2ACCR3
SCHEMBL6981212 1.00 MEN1 (0.49) MEN1NPC1RAB9AKMT2ACCR3
SCHEMBL7592724 0.80 HDAC8 (0.46) CCR3HDAC8ACHE
SCHEMBL7592712 0.80 HDAC8 (0.46) CCR3HDAC8ACHE
SCHEMBL6980795 0.77 HDAC8 (0.56) MEN1NPC1RAB9AKMT2ACCR3
SCHEMBL6980792 0.77 HDAC8 (0.56) MEN1NPC1RAB9AKMT2ACCR3
SCHEMBL7592717 0.74 HDAC8 (0.46) CCR3HDAC8DRD4ACHE
SCHEMBL7592709 0.74 HDAC8 (0.46) CCR3HDAC8DRD4ACHE
SCHEMBL7596216 0.73 HDAC8 (0.44) HDAC8ACHELMNA
SCHEMBL7594987 0.73 HDAC8 (0.42) HDAC8ACHELMNA

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 MEN1 3891/4885NPC1 1310/4885RAB9A 416/4885

“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.