SCHEMBL6887757

SCHEMBL6887757

CCN1CCN(c2ccc3cc(Br)ncc3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
ALDH1A1 P00352 5/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
HRH4 Q9H3N8 5/20 0.41
HTR3A P46098 3/20 0.41
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
THPO P40225 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL6888086 0.84 HRH3 (0.58) HRH3ALDH1A1HTTNPSR1NPC1
SCHEMBL6888105 0.76 HRH3 (0.46) HRH3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5909974 0.75 HRH3 (0.65) HRH3ALDH1A1KDM4EGAAHRH4
SCHEMBL3970431 0.74 HRH3 (1.00) HRH3ALDH1A1HTTNPC1RAB9A
SCHEMBL23205710 0.73 HRH3 (0.62) HRH3ALDH1A1RAB9AKDM4EGAA
SCHEMBL4215600 0.73 HRH3 (0.67) HRH3ALDH1A1HTTKDM4EGAA
SCHEMBL12173607 0.73 HRH3 (0.45) HRH3HTTNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL3973471 0.73 HRH3 (0.97) HRH3ALDH1A1HTTNPC1RAB9A
SCHEMBL4010339 0.72 GAA (0.55) HRH3ALDH1A1HTTNPSR1KDM4E
SCHEMBL30818920 0.72 HRH3 (0.56) HRH3NPC1RAB9AKDM4EGAA

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-2501231-B1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-21 EP disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
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
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
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 HRH3 191/4885ALDH1A1 2989/4885HTT 2446/4885
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 HRH3 112/4885ALDH1A1 2121/4885HTT 584/4885

“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.