SCHEMBL975222

SCHEMBL975222

CNC(=NCc1cccc(C)c1)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
IDO1 P14902 2/20 0.42
CTBP2 P56545 1/20 0.41
NOS1 P29475 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL9737107 0.76 TAAR1 (0.56) TAAR1IDO1CTBP2ALDH1A1ACHE
SCHEMBL3482884 0.72 TAAR1 (0.52) TAAR1IDO1CTBP2ACHE
Bethanidine SCHEMBL374640 0.71 NPC1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29459538 0.71 TAAR1 (0.60) TAAR1IDO1ALDH1A1ACHE
SCHEMBL1263547 0.71 TAAR1 (0.60) TAAR1IDO1ALDH1A1ACHE
SCHEMBL30000562 0.71 TAAR1 (0.60) TAAR1IDO1ALDH1A1ACHE
SCHEMBL12996465 0.71 TAAR1 (0.50) TAAR1IDO1CTBP2ACHE
SCHEMBL15999389 0.71 TAAR1 (0.50) TAAR1IDO1CTBP2ACHE
Dimethylamine SCHEMBL2646042 0.71 TAAR1 (0.50) TAAR1IDO1CTBP2RAB9AACHE
SCHEMBL13329815 0.69 L3MBTL1 (0.56) CTBP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009446-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS (US) 2011-01-13 US claimed
WO-2009089053-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-16 WO claimed
US-20110009446-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS (US) 2011-01-13 US disclosed
WO-2009089053-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-16 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-20110009446-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES GMPS, OGT, GBA1 TAAR1 1599/4885GRIN2D 1739/4885GRIN3B 519/4885

“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.