SCHEMBL18282487

SCHEMBL18282487

CNC(=O)c1nsnc1N1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPA P38571 8/20 0.35
SCD O00767 1/20 0.32
POLB P06746 3/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL18282589 0.83 LIPA (0.37) ALDH1A1HPGDMAPTKDM4EALOX15
SCHEMBL18282568 0.81 KIT (0.41) ALDH1A1MAPTLIPAKMT2A
SCHEMBL18282564 0.80 LIPA (0.37) ALDH1A1HPGDMAPTKDM4EALOX15
SCHEMBL18282555 0.79 LIPA (0.35) ALDH1A1HPGDMAPTKDM4EALOX15
Hydrochloric Acid SCHEMBL18282653 0.75 KIT (0.39) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL18282663 0.75 MAPT (0.39) ALDH1A1HPGDMAPTKDM4EALOX15
SCHEMBL4314831 0.73 HTR1A (0.41) ALDH1A1HPGDMAPTKDM4EALOX15
SCHEMBL18282590 0.73 LIPA (0.39) ALDH1A1HPGDMAPTKDM4EALOX15
SCHEMBL30695510 0.70 HDAC3 (0.40) ALDH1A1SCD
SCHEMBL18282509 0.69 ALDH1A1 (0.43) ALDH1A1MAPTLIPAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists ORION CORPORATION (FI) 2020-09-15 US disclosed
EP-3303327-B1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORP (FI) 2020-03-11 EP disclosed
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2019-09-26 US disclosed
US-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2018-08-02 US disclosed
EP-3303327-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2018-04-11 EP disclosed
WO-2016193551-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2016-12-08 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 (3 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-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C ALDH1A1 972/4885HPGD 1937/4885MAPT 3050/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C ALDH1A1 972/4885HPGD 1937/4885MAPT 3050/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C ALDH1A1 972/4885HPGD 1937/4885MAPT 3050/4885

“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.