SCHEMBL6982861

SCHEMBL6982861

Cc1nc2ccc(C(=O)CCC3CCNCC3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.66
ACHE P22303 4/20 0.66
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
CHRNA7 P36544 1/20 0.43
P2RX7 Q99572 1/20 0.42
PKM P14618 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL6983288 0.79 BCHE (0.68) BCHEACHENPC1RAB9AHPGD
SCHEMBL220379 0.79 ACHE (1.00) BCHEACHE
Hydrochloric Acid SCHEMBL6979927 0.79 ACHE (1.00) BCHEACHE
SCHEMBL221729 0.79 ACHE (0.75) BCHEACHENPC1RAB9AHPGD
SCHEMBL14433391 0.75 NPC1 (0.57) BCHEACHENPC1RAB9AHPGD
SCHEMBL9375879 0.73 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10751917 0.73 SLC6A4 (0.53) ACHENPC1RAB9AHPGDKMT2A
SCHEMBL18042341 0.72 HPGD (0.56) BCHEACHENPC1RAB9AHPGD
SCHEMBL1261509 0.71 NPC1 (0.75) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL9785742 0.71 PDE4D (0.56) ACHE

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 BCHE 2/4885ACHE 1/4885NPC1 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.