SCHEMBL3554804

SCHEMBL3554804

NCCCN1CCCC1=O.O=C1CCCN1CCc1nc2c(ccc3[nH]cc(C4CCNCC4)c32)o1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PLAT P00750 1/20 0.32
BTK Q06187 1/20 0.31
SLC6A4 P31645 1/20 0.30
KDM4E B2RXH2 3/20 0.30
HSD17B10 Q99714 3/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL6844233 0.94 HTR1F (0.37) HTR1FRAB9ASMN1; SMN2CCNT1CDK9
Hydrochloric Acid SCHEMBL3551420 0.94 HTR1F (0.36) HTR1FRAB9ASMN1; SMN2CCNT1CDK9
Hydrochloric Acid SCHEMBL3627024 0.85 HTR1F (0.41) HTR1FHTR1DHTR1B
SCHEMBL3548795 0.79 RAB9A (0.37) RAB9ASMN1; SMN2KDM4EHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3546167 0.79 RAB9A (0.37) RAB9ASMN1; SMN2
SCHEMBL3546020 0.78 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2BTKKDM4EHSD17B10
SCHEMBL3552206 0.77 CYP2D6 (0.42) HTR1FPLATHTR1DHTR1B
SCHEMBL3547115 0.77 HTR1F (0.40) HTR1FHTR1DHTR1B
Hydrochloric Acid SCHEMBL3553017 0.76 CYP2D6 (0.41) HTR1FPLATHTR1DHTR1B
Hydrochloric Acid SCHEMBL3545956 0.76 HTR1F (0.39) HTR1FHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741343-B2 6H-oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2010-06-22 US disclosed
US-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands SCHIEMANN KAI 2008-02-28 US disclosed
US-7291633-B2 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2005-05-12 US disclosed
EP-1392699-B1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2005-03-16 EP 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-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 HTR1F 53/4885RAB9A 2957/4885SMN1; SMN2 272/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 HTR1F 57/4885RAB9A 2922/4885SMN1; SMN2 274/4885

“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.