SCHEMBL5122815

SCHEMBL5122815

COCCNC1CCC(CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 1/20 0.47
KMT2A Q03164 1/20 0.43
ACACB O00763 12/20 0.43
ACACA Q13085 8/20 0.43
DRD2 P14416 2/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL6122749 0.83 EPHX1 (0.47) KMT2ADRD2EPHX1
SCHEMBL6122752 0.83 EPHX1 (0.47) KMT2ADRD2EPHX1
SCHEMBL17733780 0.83 EPHX1 (0.54) PBKKMT2AACACBACACADRD2
SCHEMBL4377073 0.82 KMT2A (0.56) KMT2AACACBACACADRD2EPHX1
SCHEMBL3942686 0.82 KMT2A (0.56) KMT2AACACBACACADRD2EPHX1
SCHEMBL3816616 0.82 KMT2A (0.56) KMT2AACACBACACADRD2EPHX1
SCHEMBL190838 0.82 KMT2A (0.56) KMT2AACACBACACADRD2EPHX1
SCHEMBL14408855 0.80 KMT2A (0.49) PBKKMT2AACACBACACADRD2
SCHEMBL17733705 0.80 KMT2A (0.49) PBKKMT2AACACBACACADRD2
SCHEMBL18534331 0.80 EPHX1 (0.52) PBKKMT2AACACBACACADRD2

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 11 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
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
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 PBK 2688/4885KMT2A 3078/4885ACACB 2954/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R PBK 2688/4885KMT2A 3078/4885ACACB 2954/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R PBK 2792/4885KMT2A 3383/4885ACACB 2692/4885

“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.