SCHEMBL6344612

SCHEMBL6344612

COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCC(C)CC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
SPR P35270 1/20 0.51
NOTUM Q6P988 2/20 0.50
MTNR1A P48039 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MTNR1B P49286 1/20 0.50
HTR1A P08908 2/20 0.49
TRPV1 Q8NER1 1/20 0.48
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL6347047 0.90 MAPT (0.61) MAPTSMN1; SMN2SPRNOTUMMTNR1A
SCHEMBL6347318 0.81 DRD2 (0.49) SLC6A4
SCHEMBL6356822 0.81 TRPV1 (0.55) MAPTSMN1; SMN2SPRNOTUMMTNR1A
SCHEMBL7457313 0.78 HTR1A (0.55) HTR1A
SCHEMBL23925487 0.78 MAPT (0.79) MAPTSMN1; SMN2SPRNOTUMMTNR1A
Hydrochloric Acid SCHEMBL7460920 0.76 HTR1A (0.51) HTR1A
SCHEMBL7463036 0.76 HTR1A (0.50) HTR1A
SCHEMBL23925774 0.75 MEN1 (0.62) MAPTSMN1; SMN2SPRNOTUMMTNR1A
SCHEMBL7523961 0.75 MEN1 (0.49) MAPTMEN1KMT2AHTR1AHTR7
SCHEMBL7454437 0.74 HTR1A (0.51) HTR1A

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-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2005-08-11 US disclosed
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands MERCK PATENT GMBH (DE) 2003-04-03 US disclosed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 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-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands HTR1B, HTR1D, HTR1A MAPT 1182/4885SMN1; SMN2 3174/4885SPR 3956/4885
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands HTR5A, HTR1B, HTR1A MAPT 1614/4885SMN1; SMN2 3079/4885SPR 2753/4885

“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.