SCHEMBL4014137

SCHEMBL4014137

Nc1cccc2c1CCC2N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.46
ACHE P22303 2/20 0.45
ADRA2A P08913 1/20 0.43
DRD2 P14416 3/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
CD44 P16070 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
RGS12 O14924 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL29860884 1.00 GID4 (0.46) GID4ACHEADRA2ADRD2DRD1
SCHEMBL7327615 0.88 ADRA2A (0.51) GID4ACHEADRA2ADRD2DRD1
SCHEMBL24619626 0.81 ACHE (0.46) ACHEDRD2DRD3IL1RNERAP2
SCHEMBL165119 0.79 ACHE (0.45) ACHEDRD2DRD3IL1RNERAP2
SCHEMBL10939693 0.78 GID4 (0.45) GID4ACHEADRA2ADRD2DRD1
SCHEMBL1151092 0.78 ACHE (0.48) ACHEADRA2ADRD2SLC6A2SLC6A4
SCHEMBL193435 0.78 HTR2C (0.45) ACHESLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4666253 0.78 DRD2 (0.53) ACHEDRD2DRD3
SCHEMBL4202381 0.78 DRD2 (0.53) ACHEDRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4641247 0.78 GID4 (0.45) GID4ADRA2ADRD2DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891227-A Preparation method of halogen-free flame-retardant modified epoxy resin 台州市黄岩区武汉理工高性能复合材料技术研究院 2022-08-12 CN claimed
CN-114891227-A Preparation method of halogen-free flame-retardant modified epoxy resin 台州市黄岩区武汉理工高性能复合材料技术研究院 2022-08-12 CN disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C GID4 2031/4885ACHE 108/4885ADRA2A 2/4885

“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.