SCHEMBL5126100

SCHEMBL5126100

CC(C)NC1CCC(CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX1 P07099 1/20 0.46
DRD2 P14416 2/20 0.46
ACACB O00763 7/20 0.45
ACACA Q13085 4/20 0.43
PBK Q96KB5 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 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
SCHEMBL4377073 0.86 KMT2A (0.56) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL190838 0.86 KMT2A (0.56) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL3942686 0.86 KMT2A (0.56) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL3816616 0.86 KMT2A (0.56) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL18534331 0.83 EPHX1 (0.52) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL14408855 0.83 KMT2A (0.49) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL5126670 0.83 KMT2A (0.53) KMT2AEPHX1DRD2ACACBACACA
Bicarbonate SCHEMBL1580718 0.82 KMT2A (0.57) KMT2AEPHX1DRD2ACACBACACA
Formaldehyde SCHEMBL28082239 0.82 KMT2A (0.54) KMT2AEPHX1DRD2ACACBACACA
SCHEMBL10209101 0.82 EPHX1 (0.54) KMT2AEPHX1DRD2ACACBACACA

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 12 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
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
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 KMT2A 3078/4885EPHX1 3953/4885DRD2 533/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R KMT2A 3078/4885EPHX1 3953/4885DRD2 533/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R KMT2A 3383/4885EPHX1 3465/4885DRD2 571/4885

“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.