SCHEMBL6890364

SCHEMBL6890364

CCN1CCC(c2nc3ccc(F)cc3[nH]2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.69
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.51
AKT1 P31749 5/20 0.51
AKT2 P31751 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PDE10A Q9Y233 1/20 0.47
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2B P41595 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14218700 0.81 HTR2B (0.65) POLBKMT2AHTR2BMAPT
SCHEMBL2708884 0.78 MPO (0.54) MPOAKT1NPC1RAB9APDE10A
Hydrochloric Acid SCHEMBL30456349 0.77 MPO (0.53) MPOAKT1NPC1RAB9APDE10A
Hydrochloric Acid SCHEMBL3707758 0.77 MPO (0.53) MPOAKT1NPC1RAB9APDE10A
Hydrochloric Acid SCHEMBL25241510 0.77 MPO (0.53) MPOAKT1NPC1RAB9APDE10A
SCHEMBL9869376 0.75 HTR2B (0.60) MPOPOLBKMT2AHTR2BMAPT
SCHEMBL10395418 0.72 DRD2 (0.49) MPOALDH1A1SMN1; SMN2
SCHEMBL2709675 0.72 GRIN2B (0.56) MPOAKT1AKT2NPC1RAB9A
SCHEMBL19692360 0.71 ADAMTS5 (0.56) MPOALDH1A1
SCHEMBL1519418 0.71 HTR2B (0.55) MPOALDH1A1POLBAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 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-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 MPO 2701/4885ALDH1A1 2121/4885POLB 3198/4885

“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.