SCHEMBL20008634

SCHEMBL20008634

CCc1ccc(CC(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
PLAU P00749 2/20 0.48
TAAR1 Q96RJ0 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 2/20 0.40
NQO2 P16083 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 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
SCHEMBL10308990 0.82 LPL (0.47) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2922221 0.81 IDO1 (0.57) IDO1TAAR1HTR3EHTR3BHTR3A
SCHEMBL16275249 0.80 NOS1 (0.48) IDO1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL1622673 0.79 IDO1 (0.59) IDO1TAAR1HTR3EHTR3BHTR3A
SCHEMBL13088176 0.79 HTR3E (0.61) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10308999 0.78 IDO1 (0.48) IDO1SMN1; SMN2PLAUTAAR1LPL
SCHEMBL1520205 0.78 CA2 (0.60) IDO1TAAR1HTR3EHTR3BHTR3A
SCHEMBL2700841 0.78 LOXL2 (0.60) PLAUTAAR1HTR3EHTR3BHTR3A
SCHEMBL4636749 0.78 MASP2 (0.48) IDO1PLAUHTR3EHTR3BHTR3A
SCHEMBL2572011 0.77 PRSS1 (0.61) SMN1; SMN2ALDH1A1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 IDO1 197/4885SMN1; SMN2 1281/4885PLAU 1879/4885

“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.