SCHEMBL6095564

SCHEMBL6095564

Cc1cc(C)c(-c2cccn3c2cc2nc(C)nc(NCCNC4CCCC4)c23)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.42
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRK1 P41145 4/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL6093905 0.84 NPY1R (0.35) NPY1RALDH1A1
SCHEMBL6092967 0.72 PTPN1 (0.35) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL6093564 0.72 CDK5 (0.32) LMNAMAPTTP53
SCHEMBL6093439 0.68 NPY1R (0.40) NPY1R
SCHEMBL7788898 0.67 CRHR1 (0.48) NPY1RLMNAMAPTTP53ALDH1A1
SCHEMBL6095943 0.66 LMNA (0.36) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL6092887 0.66 PTPN1 (0.37) LMNAMAPTALDH1A1KMT2A
SCHEMBL5729037 0.63 NPY1R (0.71) NPY1R
SCHEMBL5729895 0.62 NPY1R (0.70) NPY1R
SCHEMBL7788907 0.62 CRHR1 (0.42) NPY1RMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074929-B2 Certain alkylene diamine-substituted heterocycles NEUROGEN CORP. (US) 2006-07-11 US disclosed
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2004-11-18 US disclosed
US-6696445-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2004-02-24 US disclosed
US-20030158197-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2003-08-21 US disclosed
US-6506762-B1 Mono-, bi-, or tricyclic heterocycles may be modified to obtain potent antagonists at the NPY1 receptor. methods for the treatment of physiological disorders associated with an excess of neuropeptide Y. Novel compounds are for eating NEUROGEN CORPORATION 2003-01-14 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-20030158197-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R NPY1R 1/4885LMNA 2161/4885MAPT 4827/4885
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R NPY1R 1/4885LMNA 2274/4885MAPT 4811/4885

“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.