SCHEMBL7652188

SCHEMBL7652188

CCCCCCC(=O)N1CCc2ccccc2[C@H]1CN

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.54
ACE P12821 1/20 0.46
TP53 P04637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
MAPK1 P28482 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
DRD1 P21728 1/20 0.42
CYP2D6 P10635 1/20 0.41
OPRD1 P41143 2/20 0.41

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
SCHEMBL11119714 0.83 MTNR1B (0.56) MTNR1BACETP53HDAC3HDAC1
SCHEMBL3609218 0.82 ACE (0.70) MTNR1BACEHDAC3HDAC1HDAC10
SCHEMBL16017669 0.80 MAPK1 (0.65) MAPK1
SCHEMBL17558824 0.78 MTNR1B (0.54) MTNR1BACEMAPK1
SCHEMBL30605435 0.77 CHRM3 (0.58) MTNR1BCYP2D6
SCHEMBL3612165 0.77 ACE (0.50) MTNR1BACE
SCHEMBL22494094 0.77 ACE (0.61) MTNR1BACE
SCHEMBL11816884 0.75 MTNR1B (0.57) MTNR1BTP53OPRM1OPRK1OPRD1
SCHEMBL22525292 0.75 ACE (0.59) MTNR1BACE
SCHEMBL9541988 0.75 OPRM1 (0.53) HDAC3HDAC1OPRM1OPRK1CYP2D6

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-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2024-06-06 US disclosed
US-6468971-B1 Maintaining kidney function during surgery or trauma BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2002-10-22 US disclosed
EP-1244738-A1 BIOMIMETIC SILICONE ELASTOMERS Xiomateria Limited (GB) 2002-10-02 EP disclosed
WO-2001034695-A1 BIOMIMETIC SILICONE ELASTOMERS XIOMATERIA LIMITED (GB) 2001-05-17 WO disclosed
US-5859043-A Method for maintaining kidney function during surgery or severe trauma under general anesthesia BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-01-12 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 (1 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-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE OPRK1, OPRL1, OPRM1 MTNR1B 54/4885ACE 199/4885TP53 4875/4885

“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.