SCHEMBL5866409

SCHEMBL5866409

NCCCNC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 1/20 0.54
CHRM2 P08172 2/20 0.53
CHRM5 P08912 2/20 0.53
CHRM3 P20309 1/20 0.53
GRIN2B Q13224 4/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
ENPP2 Q13822 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
F13A1 P00488 1/20 0.48

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
Hydrochloric Acid SCHEMBL16992484 0.99 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL5866369 0.96 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL5866394 0.93 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL5866379 0.89 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL28592826 0.88 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL22587630 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL5866443 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL1972315 0.86 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL14334583 0.86 ENPP2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E
SCHEMBL1307173 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AKDM4E

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-9670183-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-06 US disclosed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO disclosed
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US disclosed
EP-1307202-B1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
US-20040248914-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2004-12-09 US disclosed
EP-1450805-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-09-01 EP disclosed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
CN-1142822-A Cyclic amide derivatives as neurokinin A antagonists ZENECA LTD (GB) 1997-02-12 CN disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 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 (3 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-20040248914-A1 Method for the treatment of overactive bladder TACR1, TACR2, OGFR SMN1; SMN2 3444/4885CYP2C19 1822/4885NPC1 3577/4885
US-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 SMN1; SMN2 1152/4885CYP2C19 415/4885NPC1 387/4885
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SMN1; SMN2 3252/4885CYP2C19 708/4885NPC1 1913/4885

“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.