SCHEMBL5124599

SCHEMBL5124599

CCS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 18/20 1.00
ADRB2 P07550 1/20 0.84
CYP3A4 P08684 1/20 0.84
HTR1A P08908 1/20 0.84
HTR1D P28221 1/20 0.84
DRD3 P35462 1/20 0.84
HTR2B P41595 1/20 0.84
HTR5A P47898 1/20 0.84
TMEM97 Q5BJF2 1/20 0.84

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
SCHEMBL14276543 1.00 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14528345 1.00 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL175710 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5127692 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL29702219 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14528347 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14276589 0.91 NPY5R (0.83) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5130637 0.91 NPY5R (0.83) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14408821 0.89 NPY5R (0.81) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5382521 0.89 NPY5R (0.81) NPY5RADRB2CYP3A4HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
EP-1183245-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2007-05-09 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-6124331-A TREATING ABNORMAL FEEDING DISORDERS (OBESITY AND BULIMIA NERVOSA), SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-09-26 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-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885ADRB2 124/4885CYP3A4 1350/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885ADRB2 124/4885CYP3A4 1350/4885

“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.