SCHEMBL2677971

SCHEMBL2677971

C=CCN1CCC(CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
HTR4 Q13639 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 4/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL7637341 0.80 SIGMAR1 (0.33) HTR4OPRM1OPRD1SIGMAR1HRH3
SCHEMBL4342319 0.78 LTA4H (0.36) LTA4HHRH3ACHEGAA
SCHEMBL6530435 0.78 NCF1 (0.46) HTR4OPRM1SIGMAR1HRH3ADRA2A
SCHEMBL2677452 0.78 HTR4 (0.33) HTR4OPRM1OPRD1SIGMAR1HRH3
SCHEMBL4502994 0.77 KCNA3 (0.35) OPRM1OPRD1SIGMAR1RAB9AHRH3
SCHEMBL2676354 0.76 CYP2D6 (0.44) LTA4HSIGMAR1RAB9ANPC1ADRA2C
SCHEMBL9471641 0.76 CYP2D6 (0.44) LTA4HSIGMAR1RAB9ANPC1ADRA2C
Methane SCHEMBL2677973 0.76 MAPT (0.35) OPRM1OPRD1SIGMAR1RAB9AHRH3
SCHEMBL12718253 0.75 HTR4 (0.39) HTR4OPRM1OPRD1SIGMAR1RAB9A
SCHEMBL24243286 0.75 OPRD1 (0.38) OPRM1OPRD1SIGMAR1HRH3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107854-A1 REAGENT FOR MEASUREMENT OF CHOLINESTERASE ACTIVITY NATIONAL INSTITUTE OF RADIOLOGICAL SCIENCES (JP) 2012-05-03 US disclosed
WO-2001014381-A1 ETHER DERIVATIVES OF PYRROLO[1,2-A]QUINOXALINES, METHOD FOR PRODUCING THEM AND THEIR USE IN THERAPY UNIVERSITE DE CAEN BASSE-NORMANDIE (FR) 2001-03-01 WO 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-20120107854-A1 REAGENT FOR MEASUREMENT OF CHOLINESTERASE ACTIVITY BCHE, ACHE, SMPD1 LTA4H 205/4885HTR4 2119/4885OPRM1 3784/4885

“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.