SCHEMBL3753069

SCHEMBL3753069

O=C(c1n[nH]c2c1CCCCCC2)N1CCN2CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HCAR2 Q8TDS4 2/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.47
UGCG Q16739 6/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ENPP2 Q13822 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
GFER P55789 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL3520598 0.96 HCAR2 (0.50) TSHRNPC1RAB9AHCAR2KMT2A
SCHEMBL13050683 0.74 UGCG (0.40) UGCGCHRNA7
SCHEMBL3515809 0.71 CHRNA7 (0.41) TSHRNPC1RAB9AUGCGLMNA
SCHEMBL13050682 0.71 CHRNA7 (0.41) TSHRNPC1RAB9AUGCGLMNA
SCHEMBL21996049 0.70 HCAR2 (0.62) TSHRNPC1RAB9AHCAR2KMT2A
SCHEMBL1572778 0.70 CHRNA7 (0.52) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL3752473 0.69 UGCG (0.42) UGCGCHRNA7
Hydrochloric Acid SCHEMBL4223898 0.69 CHRNA7 (0.51) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL395525 0.69 TSHR (1.00) TSHRNPC1RAB9AHCAR2KMT2A
SCHEMBL1149868 0.69 TSHR (1.00) TSHRNPC1RAB9AHCAR2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US claimed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 TSHR 354/4885NPC1 388/4885RAB9A 1873/4885

“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.