SCHEMBL5124901

SCHEMBL5124901

COCCN(C=O)C1CCC(CNC(N)=S)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.36
ADH1C P00326 2/20 0.36
ADH4 P08319 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5131190 0.84 ADH1A (0.38) ADH1AADH1CADH4TDP1MEN1
SCHEMBL5271794 0.79 ADH1A (0.40) ADH1AADH1CADH4
SCHEMBL5126646 0.77 SMN1; SMN2 (0.50) MEN1KMT2A
SCHEMBL5127609 0.73 ADH1B (0.46) ADH1AADH1CTDP1
SCHEMBL7474932 0.73 LMNA (0.38) ADH1AADH1CADH4
SCHEMBL1960773 0.70
SCHEMBL5269817 0.70 ADH1A (0.41) ADH1AADH1CADH4
SCHEMBL5126180 0.68 DRD3 (0.40) TDP1
SCHEMBL3469985 0.68 ADH1A (0.44) ADH1AADH1CADH4
SCHEMBL13135995 0.67 TDP1 (0.48) TDP1MEN1KMT2A

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 17 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
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 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-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1183245-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-10-02 EP disclosed
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
EP-1183245-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6218408-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
US-6214853-B1 DIETETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-10 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 WO 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 (3 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 ADH1A 4515/4885ADH1C 3880/4885ADH4 4386/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ADH1A 4515/4885ADH1C 3880/4885ADH4 4386/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ADH1A 4535/4885ADH1C 4134/4885ADH4 4307/4885

“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.