SCHEMBL6354568

SCHEMBL6354568

COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.57
HTR1B P28222 10/20 0.57
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51

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
SCHEMBL6348488 0.91 HTR1D (0.57) HTR1DHTR1BHTR1A
SCHEMBL6342285 0.88 HTR1A (0.64) HTR1DHTR1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL6342480 0.87 HTR1A (0.62) HTR1DHTR1BHTR1AHTR2C
SCHEMBL7517495 0.81 DRD4 (0.49) HTR1DHTR1B
SCHEMBL8722756 0.80 MAPT (0.72) HTR1DHTR1BHTR1AHTR2C
SCHEMBL6346305 0.79 DRD2 (0.50) HTR1D
SCHEMBL6346308 0.78 HTR1A (0.63) HTR1DHTR1BHTR1AHTR2C
SCHEMBL6356041 0.77 HTR1A (0.62) HTR1DHTR1BHTR1AHTR2C
SCHEMBL22411096 0.77 HTR1A (0.62) HTR1DHTR1BHTR1AHTR2C
SCHEMBL6345386 0.77 HTR1A (0.55) HTR1DHTR1BHTR1AHTR2C

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 6 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
EP-1140898-B1 AMIDE AND UREA DERIVATIVES AS 5-HT REUPTAKE INHIBITORS AND AS 5-HT1B/1D LIGANDS MERCK PATENT GMBH (DE) 2002-08-28 EP disclosed
EP-1140898-A1 AMIDE AND UREA DERIVATIVES AS 5-HT REUPTAKE INHIBITORS AND AS 5-HT1B/1D LIGANDS MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-2000037456-A1 AMIDE AND UREA DERIVATIVES AS 5-HT REUPTAKE INHIBITORS AND AS 5-HT1B/1D LIGANDS MERCK PATENT GMBH (DE) 2000-06-29 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-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands HTR1B, HTR1D, HTR1A HTR1D 2/4885HTR1B 1/4885HTR1A 3/4885
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands HTR5A, HTR1B, HTR1A HTR1D 7/4885HTR1B 2/4885HTR1A 3/4885

“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.