SCHEMBL2675952

SCHEMBL2675952

O=C(O)N1CCC(N2CCCCc3ccccc32)CC1.O=C1CCCc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
AGTR2 P50052 1/20 0.46
CRBN Q96SW2 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CALCRL Q16602 8/20 0.42
RAMP1 O60894 4/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
DPP4 P27487 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
SCHEMBL27778262 0.83 HTR2C (0.51) MAPTAGTR2HTR2CHTR2BDPP4
SCHEMBL2675482 0.80 AGTR2 (0.54) MAPTAGTR2HTR2CHTR2BDPP4
SCHEMBL2675232 0.78 OPRM1 (0.52) MAPTAGTR2HTR2CHTR2BOPRM1
SCHEMBL2087424 0.77 CALCRL (0.55) CALCRLRAMP1
SCHEMBL2676323 0.76 AGTR2 (0.49) MAPTAGTR2HTR2CHTR2BDPP4
SCHEMBL31285861 0.75 OPRM1 (0.65) MAPTOPRM1OPRD1OPRK1OGFRL1
SCHEMBL22588011 0.75 OPRM1 (0.65) MAPTOPRM1OPRD1OPRK1OGFRL1
SCHEMBL2103739 0.74 CALCRL (0.58) CALCRLRAMP1
SCHEMBL30231301 0.74 CALCRL (0.58) CALCRLRAMP1
Oxalic Acid SCHEMBL8173155 0.72 MAPT (0.83) MAPTCRBNNPC1MAPK13MAPK12

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-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 MAPT 1956/4885AGTR2 1371/4885CRBN 2267/4885

“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.