SCHEMBL5120698

SCHEMBL5120698

CCNc1nc(NC(C)C)nc(C(N)C2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.53
NPY1R P25929 4/20 0.53
AQP1 P29972 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ADRA2A P08913 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
NPY2R P49146 1/20 0.53
NPY4R P50391 1/20 0.53
MCHR1 Q99705 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CNR1 P21554 1/20 0.41
NSD2 O96028 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL1594644 0.93 NPY5R (0.55) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594252 0.92 NPY5R (0.53) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594188 0.91 NPY5R (0.53) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594590 0.91 NPY5R (0.54) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594055 0.90 NPY5R (0.60) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL5120702 0.89 NPY5R (0.62) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594584 0.89 NPY5R (0.57) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1594550 0.89 NPY5R (0.52) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1593244 0.88 NPY5R (0.47) NPY5RNPY1RAQP1ALDH1A1ADRA2A
SCHEMBL1593459 0.87 NPY5R (0.53) NPY5RNPY1RAQP1ALDH1A1ADRA2A

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 8 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
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20040019050-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2004-01-29 US disclosed
US-6569856-B2 Treatment of feeding disorders, obesity, bulimia nervosa, sexual/reproductive disorders, depression, epileptic seizure, cardiovascular disorders, sleep disturbances SYNAPTIC PHARMACEUTICAL CORPORATION 2003-05-27 US disclosed
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
US-6340683-B1 NEUROPEPTIDE Y ANTAGONISTS; TREATING EATING DISORDERS, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-22 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 (4 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-20040019050-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3963/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3990/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3963/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885AQP1 3990/4885

“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.