SCHEMBL5675103

SCHEMBL5675103

c1ccc(-c2ncc(N3CCN4CCC3CC4)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.41
HTR3A P46098 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Bromide SCHEMBL5675094 0.99 CHRNA7 (0.40) CHRNA7HTR3AHRH3NPC1ALDH1A1
SCHEMBL6604301 0.84 HTR3A (0.40) CHRNA7HTR3ASMN1; SMN2
SCHEMBL6542495 0.83 HRH3 (0.42) CHRNA7HTR3AHRH3
SCHEMBL6600859 0.83 HRH3 (0.46) CHRNA7HTR3AHRH3NPC1ALDH1A1
Bromide SCHEMBL5673167 0.82 HRH3 (0.41) CHRNA7HTR3AHRH3
Oxalic Acid SCHEMBL5673114 0.81 HTR3A (0.36) HTR3A
SCHEMBL5358073 0.81 CHRNA7 (0.36) CHRNA7HTR3AALDH1A1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL5673576 0.80 UGCG (0.43) HTR3AHRH3ALDH1A1
Oxalic Acid SCHEMBL5675074 0.80 HDAC3 (0.48) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL2638565 0.77 HRH3 (0.56) CHRNA7HTR3AHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001902-B2 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane derivatives, preparation and therapeutic use thereof SANOTL-AVENTIS (FR) 2006-02-21 US disclosed
EP-1554283-A1 5-SUBSTITUTED 7,9-DIFLUORO-5 I H /I -CHROMENO (3,4-F) QUINOLINE COMPOUNDS AS SELECTIVE PROGESTERONE RECEPTOR MODULATORS LIGAND PHARMACEUTICALS, INC. (US) 2005-07-20 EP disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
EP-1289987-B1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO- 3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed
EP-1289987-B1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO- 3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed
WO-2004033461-A1 5-SUBSTITUTED 7,9-DIFLUORO-5H-CHROMENO[3,4-f]QUINOLINE COMPOUNDS AS SELECTIVE PROGESTERONE RECEPTOR MODULATORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2004-04-22 WO disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO disclosed
US-20040029884-A1 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane deirvatives, preparation and therapeutic use thereof SANOFI (FR) 2004-02-12 US disclosed
US-20040029884-A1 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane deirvatives, preparation and therapeutic use thereof SANOFI (FR) 2004-02-12 US disclosed
EP-1289987-A1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO- 3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-03-12 EP disclosed
EP-1289987-A1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO- 3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-03-12 EP disclosed
WO-2001092260-A1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO-[3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-12-06 WO disclosed
WO-2001092260-A1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO-[3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-12-06 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 (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-20040029884-A1 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane deirvatives, preparation and therapeutic use thereof CBR1, FPR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 2244/4885HTR3A 1703/4885HRH3 631/4885
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CHRNA7 13/4885HTR3A 314/4885HRH3 2320/4885

“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.